 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer02_STD_B3LYPDBJ_def2SVPD.in
 Output=21_phenylethanol_conformer02_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-2659.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      2660.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer02_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:38:33 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer02_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.283987000000      1.156120000000     -0.373456000000
  C                                                -1.655795000000     -0.121273000000     -0.366360000000
  H                                                -2.318612000000      1.484471000000      0.532599000000
  H                                                -1.860649000000     -0.525090000000     -1.361656000000
  C                                                -2.302509000000     -1.029603000000      0.677627000000
  C                                                -0.147700000000     -0.039181000000     -0.192779000000
  H                                                -2.124690000000     -0.633553000000      1.681464000000
  H                                                -1.888324000000     -2.037154000000      0.643744000000
  H                                                -3.377784000000     -1.087470000000      0.505904000000
  C                                                 0.491776000000      1.164959000000      0.083802000000
  C                                                 1.871834000000      1.212975000000      0.256826000000
  C                                                 2.632604000000      0.057673000000      0.146221000000
  C                                                 2.004188000000     -1.148889000000     -0.145245000000
  C                                                 0.627734000000     -1.194232000000     -0.312182000000
  H                                                -0.089333000000      2.074672000000      0.140318000000
  H                                                 2.351589000000      2.159628000000      0.471088000000
  H                                                 3.706229000000      0.095350000000      0.277421000000
  H                                                 2.588377000000     -2.054912000000     -0.244841000000
  H                                                 0.152296000000     -2.139482000000     -0.545858000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 20:38:33 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.283987    1.156120   -0.373456
      2          6           0       -1.655795   -0.121273   -0.366360
      3          1           0       -2.318612    1.484471    0.532599
      4          1           0       -1.860649   -0.525090   -1.361656
      5          6           0       -2.302509   -1.029603    0.677627
      6          6           0       -0.147700   -0.039181   -0.192779
      7          1           0       -2.124690   -0.633553    1.681464
      8          1           0       -1.888324   -2.037154    0.643744
      9          1           0       -3.377784   -1.087470    0.505904
     10          6           0        0.491776    1.164959    0.083802
     11          6           0        1.871834    1.212975    0.256826
     12          6           0        2.632604    0.057673    0.146221
     13          6           0        2.004188   -1.148889   -0.145245
     14          6           0        0.627734   -1.194232   -0.312182
     15          1           0       -0.089333    2.074672    0.140318
     16          1           0        2.351589    2.159628    0.471088
     17          1           0        3.706229    0.095350    0.277421
     18          1           0        2.588377   -2.054912   -0.244841
     19          1           0        0.152296   -2.139482   -0.545858
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.423520   0.000000
     3  H    0.964339   1.955982   0.000000
     4  H    1.995550   1.093457   2.799333   0.000000
     5  C    2.425387   1.527485   2.518305   2.146730   0.000000
     6  C    2.454610   1.520270   2.749645   2.129924   2.526211
     7  H    2.729652   2.162378   2.417338   3.056479   1.093693
     8  H    3.374647   2.178297   3.549555   2.511719   1.089888
     9  H    2.646387   2.158617   2.781625   2.470982   1.090437
    10  C    2.813187   2.543443   2.863876   3.237208   3.602327
    11  C    4.203729   3.822662   4.208277   4.424001   4.757244
    12  C    5.064535   4.322630   5.167164   4.775210   5.081329
    13  C    4.873766   3.807934   5.106922   4.099481   4.386227
    14  C    3.742463   2.523625   4.070634   2.782301   3.097281
    15  H    2.433970   2.744577   2.339211   3.486008   3.850113
    16  H    4.817556   4.686465   4.719152   5.320678   5.645749
    17  H    6.118134   5.404876   6.188173   5.836236   6.126224
    18  H    5.836711   4.665482   6.100015   4.835438   5.081631
    19  H    4.101974   2.715618   4.516801   2.706240   2.958854
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.788289   0.000000
     8  H    2.778748   1.761484   0.000000
     9  H    3.467061   1.777140   1.771833   0.000000
    10  C    1.391179   3.554302   4.028888   4.497233   0.000000
    11  C    2.418379   4.627252   4.985161   5.736948   1.391691
    12  C    2.802569   5.046445   5.007456   6.129069   2.411042
    13  C    2.421639   4.544235   4.069787   5.421567   2.773760
    14  C    1.396316   3.444535   2.820436   4.089601   2.396053
    15  H    2.140732   3.721867   4.516295   4.576757   1.080953
    16  H    3.394396   5.413312   5.968220   6.585634   2.144356
    17  H    3.884837   6.041709   5.998399   7.185716   3.393267
    18  H    3.398823   5.286200   4.564072   6.090537   3.856334
    19  H    2.150797   3.523273   2.364266   3.830718   3.380983
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.387706   0.000000
    13  C    2.399496   1.391277   0.000000
    14  C    2.768790   2.407676   1.387281   0.000000
    15  H    2.145291   3.387811   3.854312   3.377081   0.000000
    16  H    1.082693   2.145396   3.383318   3.851437   2.464696
    17  H    2.148142   1.082268   2.150284   3.389363   4.282850
    18  H    3.382926   2.148930   1.082624   2.142295   4.936795
    19  H    3.852283   3.385025   2.138053   1.083579   4.276484
                   16         17         18         19
    16  H    0.000000
    17  H    2.476651   0.000000
    18  H    4.281468   2.479108   0.000000
    19  H    4.934918   4.278166   2.456065   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.70D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.283987    1.156120   -0.373456
      2          6           0       -1.655795   -0.121273   -0.366360
      3          1           0       -2.318612    1.484471    0.532599
      4          1           0       -1.860649   -0.525090   -1.361656
      5          6           0       -2.302509   -1.029603    0.677627
      6          6           0       -0.147700   -0.039181   -0.192779
      7          1           0       -2.124690   -0.633553    1.681464
      8          1           0       -1.888324   -2.037154    0.643744
      9          1           0       -3.377784   -1.087470    0.505904
     10          6           0        0.491776    1.164959    0.083802
     11          6           0        1.871834    1.212975    0.256826
     12          6           0        2.632604    0.057673    0.146221
     13          6           0        2.004188   -1.148889   -0.145245
     14          6           0        0.627734   -1.194232   -0.312182
     15          1           0       -0.089333    2.074672    0.140318
     16          1           0        2.351589    2.159628    0.471088
     17          1           0        3.706229    0.095350    0.277421
     18          1           0        2.588377   -2.054912   -0.244841
     19          1           0        0.152296   -2.139482   -0.545858
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4642690           1.1625108           0.9300830
 Leave Link  202 at Thu Aug 12 20:38:34 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   281 symmetry adapted cartesian basis functions of A   symmetry.
 There are   263 symmetry adapted basis functions of A   symmetry.
   263 basis functions,   391 primitive gaussians,   281 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.3601437934 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0325626742 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.3275811192 Hartrees.
 Leave Link  301 at Thu Aug 12 20:38:36 2021, MaxMem=  5368709120 cpu:              13.2 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   263 RedAO= T EigKep=  5.50D-06  NBF=   263
 NBsUse=   263 1.00D-06 EigRej= -1.00D+00 NBFU=   263
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   281   281   281   281   281 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 20:38:37 2021, MaxMem=  5368709120 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:38:37 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer02_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:38:38 2021, MaxMem=  5368709120 cpu:               3.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368546127 LenY=  5368466725
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 980000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.865099851372    
 DIIS: error= 2.90D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.865099851372     IErMin= 1 ErrMin= 2.90D-03
 ErrMax= 2.90D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.82D-03 BMatP= 6.82D-03
 IDIUse=3 WtCom= 9.71D-01 WtEn= 2.90D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.235 Goal=   None    Shift=    0.000
 GapD=    0.235 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.94D-02 MaxDP=5.93D-01              OVMax= 1.97D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.34D-02    CP:  1.44D+00
 E= -385.871471472249     Delta-E=       -0.006371620877 Rises=F Damp=F
 DIIS: error= 5.52D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.871471472249     IErMin= 2 ErrMin= 5.52D-04
 ErrMax= 5.52D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.56D-04 BMatP= 6.82D-03
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.52D-03
 Coeff-Com:  0.387D-01 0.961D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.385D-01 0.961D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=9.09D-04 MaxDP=2.88D-02 DE=-6.37D-03 OVMax= 7.58D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.84D-04    CP:  1.46D+00  1.04D+00
 E= -385.871315201868     Delta-E=        0.000156270380 Rises=F Damp=F
 DIIS: error= 7.76D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -385.871471472249     IErMin= 2 ErrMin= 5.52D-04
 ErrMax= 7.76D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.98D-04 BMatP= 2.56D-04
 IDIUse=3 WtCom= 2.64D-01 WtEn= 7.36D-01
 Coeff-Com: -0.155D-01 0.590D+00 0.425D+00
 Coeff-En:   0.000D+00 0.619D+00 0.381D+00
 Coeff:     -0.408D-02 0.611D+00 0.393D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=1.15D-04 MaxDP=4.27D-03 DE= 1.56D-04 OVMax= 4.72D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  8.15D-05    CP:  1.46D+00  1.04D+00  7.12D-01
 E= -385.871689649496     Delta-E=       -0.000374447627 Rises=F Damp=F
 DIIS: error= 7.33D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.871689649496     IErMin= 4 ErrMin= 7.33D-05
 ErrMax= 7.33D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.29D-06 BMatP= 2.56D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.766D-02 0.216D+00 0.134D+00 0.657D+00
 Coeff:     -0.766D-02 0.216D+00 0.134D+00 0.657D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=2.99D-05 MaxDP=1.01D-03 DE=-3.74D-04 OVMax= 4.66D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.31D-05    CP:  1.46D+00  1.04D+00  6.80D-01  9.77D-01
 E= -385.871692622688     Delta-E=       -0.000002973192 Rises=F Damp=F
 DIIS: error= 3.48D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.871692622688     IErMin= 5 ErrMin= 3.48D-05
 ErrMax= 3.48D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.48D-07 BMatP= 3.29D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.159D-02 0.199D-01 0.388D-02 0.311D+00 0.667D+00
 Coeff:     -0.159D-02 0.199D-01 0.388D-02 0.311D+00 0.667D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=2.16D-05 MaxDP=7.27D-04 DE=-2.97D-06 OVMax= 2.19D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.83D-06    CP:  1.46D+00  1.04D+00  6.87D-01  9.76D-01  7.37D-01
 E= -385.871693162656     Delta-E=       -0.000000539968 Rises=F Damp=F
 DIIS: error= 8.48D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.871693162656     IErMin= 6 ErrMin= 8.48D-06
 ErrMax= 8.48D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.50D-08 BMatP= 5.48D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.589D-03 0.389D-02-0.195D-02 0.138D+00 0.339D+00 0.522D+00
 Coeff:     -0.589D-03 0.389D-02-0.195D-02 0.138D+00 0.339D+00 0.522D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=3.01D-06 MaxDP=8.78D-05 DE=-5.40D-07 OVMax= 1.16D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.65D-06    CP:  1.46D+00  1.04D+00  6.87D-01  9.76D-01  7.53D-01
                    CP:  8.49D-01
 E= -385.871693193716     Delta-E=       -0.000000031060 Rises=F Damp=F
 DIIS: error= 3.80D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.871693193716     IErMin= 7 ErrMin= 3.80D-06
 ErrMax= 3.80D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.07D-09 BMatP= 3.50D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.242D-04-0.179D-02-0.204D-02 0.178D-01 0.667D-01 0.323D+00
 Coeff-Com:  0.597D+00
 Coeff:     -0.242D-04-0.179D-02-0.204D-02 0.178D-01 0.667D-01 0.323D+00
 Coeff:      0.597D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=1.32D-06 MaxDP=3.43D-05 DE=-3.11D-08 OVMax= 4.37D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  6.68D-07    CP:  1.46D+00  1.04D+00  6.87D-01  9.79D-01  7.53D-01
                    CP:  8.68D-01  6.92D-01
 E= -385.871693201784     Delta-E=       -0.000000008068 Rises=F Damp=F
 DIIS: error= 6.34D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.871693201784     IErMin= 8 ErrMin= 6.34D-07
 ErrMax= 6.34D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.73D-10 BMatP= 7.07D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.170D-04-0.102D-02-0.831D-03 0.149D-02 0.150D-01 0.127D+00
 Coeff-Com:  0.290D+00 0.568D+00
 Coeff:      0.170D-04-0.102D-02-0.831D-03 0.149D-02 0.150D-01 0.127D+00
 Coeff:      0.290D+00 0.568D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=2.70D-07 MaxDP=7.55D-06 DE=-8.07D-09 OVMax= 7.59D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.85D-07    CP:  1.46D+00  1.04D+00  6.87D-01  9.79D-01  7.54D-01
                    CP:  8.68D-01  7.11D-01  7.23D-01
 E= -385.871693202083     Delta-E=       -0.000000000299 Rises=F Damp=F
 DIIS: error= 2.35D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.871693202083     IErMin= 9 ErrMin= 2.35D-07
 ErrMax= 2.35D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.19D-11 BMatP= 2.73D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.115D-04-0.312D-03-0.178D-03-0.143D-02-0.266D-03 0.285D-01
 Coeff-Com:  0.842D-01 0.301D+00 0.588D+00
 Coeff:      0.115D-04-0.312D-03-0.178D-03-0.143D-02-0.266D-03 0.285D-01
 Coeff:      0.842D-01 0.301D+00 0.588D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=9.51D-08 MaxDP=2.75D-06 DE=-2.99D-10 OVMax= 1.97D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.96D-08    CP:  1.46D+00  1.04D+00  6.87D-01  9.79D-01  7.55D-01
                    CP:  8.68D-01  7.08D-01  7.40D-01  6.37D-01
 E= -385.871693202099     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 2.68D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.871693202099     IErMin=10 ErrMin= 2.68D-08
 ErrMax= 2.68D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.02D-13 BMatP= 3.19D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.330D-05-0.617D-04-0.233D-04-0.621D-03-0.101D-02 0.359D-02
 Coeff-Com:  0.149D-01 0.777D-01 0.203D+00 0.702D+00
 Coeff:      0.330D-05-0.617D-04-0.233D-04-0.621D-03-0.101D-02 0.359D-02
 Coeff:      0.149D-01 0.777D-01 0.203D+00 0.702D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=1.76D-08 MaxDP=3.53D-07 DE=-1.60D-11 OVMax= 4.07D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.23D-08    CP:  1.46D+00  1.04D+00  6.87D-01  9.79D-01  7.54D-01
                    CP:  8.68D-01  7.09D-01  7.52D-01  6.64D-01  8.91D-01
 E= -385.871693202114     Delta-E=       -0.000000000015 Rises=F Damp=F
 DIIS: error= 1.94D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -385.871693202114     IErMin=11 ErrMin= 1.94D-08
 ErrMax= 1.94D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.97D-13 BMatP= 7.02D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.742D-06-0.444D-05 0.296D-05-0.201D-03-0.519D-03-0.685D-03
 Coeff-Com:  0.413D-03 0.152D-01 0.584D-01 0.383D+00 0.544D+00
 Coeff:      0.742D-06-0.444D-05 0.296D-05-0.201D-03-0.519D-03-0.685D-03
 Coeff:      0.413D-03 0.152D-01 0.584D-01 0.383D+00 0.544D+00
 Gap=     0.235 Goal=   None    Shift=    0.000
 RMSDP=6.54D-09 MaxDP=1.63D-07 DE=-1.50D-11 OVMax= 2.77D-07

 SCF Done:  E(RB3LYP) =  -385.871693202     A.U. after   11 cycles
            NFock= 11  Conv=0.65D-08     -V/T= 2.0112
 KE= 3.816003649865D+02 PE=-1.745640888798D+03 EE= 5.528412494898D+02
 Leave Link  502 at Thu Aug 12 20:40:08 2021, MaxMem=  5368709120 cpu:             717.1 elap:              89.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   263
 NBasis=   263 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    263 NOA=    33 NOB=    33 NVA=   230 NVB=   230

 **** Warning!!: The largest alpha MO coefficient is  0.67253368D+02

 Leave Link  801 at Thu Aug 12 20:40:09 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5740 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.26D-13 8.33D-09 XBig12= 1.00D+00 4.65D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.26D-13 8.33D-09 XBig12= 4.09D-01 1.03D-01.
     11 vectors produced by pass  2 Test12= 1.26D-13 8.33D-09 XBig12= 4.82D-02 4.13D-02.
     11 vectors produced by pass  3 Test12= 1.26D-13 8.33D-09 XBig12= 2.79D-03 1.31D-02.
     11 vectors produced by pass  4 Test12= 1.26D-13 8.33D-09 XBig12= 1.65D-04 2.56D-03.
     11 vectors produced by pass  5 Test12= 1.26D-13 8.33D-09 XBig12= 4.38D-06 2.45D-04.
     11 vectors produced by pass  6 Test12= 1.26D-13 8.33D-09 XBig12= 9.04D-08 4.03D-05.
     11 vectors produced by pass  7 Test12= 1.26D-13 8.33D-09 XBig12= 1.34D-09 6.35D-06.
     10 vectors produced by pass  8 Test12= 1.26D-13 8.33D-09 XBig12= 1.82D-11 6.68D-07.
      7 vectors produced by pass  9 Test12= 1.26D-13 8.33D-09 XBig12= 1.80D-13 7.37D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   105 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.128763D+03
      2  0.156488D+01  0.106432D+03
      3  0.210390D+01  0.549117D+01  0.693455D+02
 Isotropic polarizability for W=    0.085645      101.51 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.950833D+02  0.509288D+01  0.847792D+01
      2  -0.407981D+02 -0.133681D+02 -0.129996D+02
      3  -0.542853D+02  0.827520D+01  0.452172D+01
      4  -0.274737D+02  0.700446D+02  0.220627D+02
      5   0.284028D+02  0.235905D+02 -0.108381D+02
      6   0.909041D+01  0.103491D+02 -0.150359D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.668539D+00  0.455413D+00  0.692538D+01
      2   0.102567D+02  0.932496D+01 -0.306358D+01
      3  -0.610370D+01 -0.397856D+02 -0.885443D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.152784D+01  0.233487D+02  0.233111D+02
      2  -0.199249D+02  0.129723D+02  0.434472D+02
      3  -0.325666D+02 -0.110843D+03 -0.145001D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.617227D+00 -0.225004D+01 -0.136235D+01
      2  -0.225004D+01 -0.151841D+01  0.228786D+01
      3  -0.136235D+01  0.228786D+01  0.703179D+00
 OR G Eigenvalues:    -3.4127    -0.7027     3.9174  Iso=     0.0660
 Eigenvectors:
   (1)   0.359167   0.861135  -0.359785
   (2)   0.713891  -0.005192   0.700237
   (3)  -0.601131   0.508350   0.616622
 w=    0.085645 a.u., Optical Rotation Beta=      0.0660 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       25.62 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   34716 ScalPx= 4.97D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.63D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.11D-14 2.78D-09 XBig12= 1.00D+00 4.18D-01.
     30 vectors produced by pass  1 Test12= 2.11D-14 2.78D-09 XBig12= 3.73D-02 4.00D-02.
     30 vectors produced by pass  2 Test12= 2.11D-14 2.78D-09 XBig12= 8.30D-04 3.96D-03.
     30 vectors produced by pass  3 Test12= 2.11D-14 2.78D-09 XBig12= 1.11D-05 6.60D-04.
     30 vectors produced by pass  4 Test12= 2.11D-14 2.78D-09 XBig12= 5.88D-08 3.84D-05.
     30 vectors produced by pass  5 Test12= 2.11D-14 2.78D-09 XBig12= 1.43D-10 1.80D-06.
     30 vectors produced by pass  6 Test12= 2.11D-14 2.78D-09 XBig12= 3.66D-13 7.96D-08.
      1 vectors produced by pass  7 Test12= 2.11D-14 2.78D-09 XBig12= 6.10D-16 2.79D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   211 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 1.13D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 1.13D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.44D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128763D+03  0.156488D+01  0.210390D+01
      2   0.156488D+01  0.106432D+03  0.549117D+01
      3   0.210390D+01  0.549117D+01  0.693455D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.668539D+00  0.455413D+00  0.692538D+01
      2   0.102567D+02  0.932496D+01 -0.306358D+01
      3  -0.610370D+01 -0.397856D+02 -0.885443D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.950833D+02  0.509288D+01  0.847792D+01
      2  -0.407981D+02 -0.133681D+02 -0.129996D+02
      3  -0.542853D+02  0.827520D+01  0.452172D+01
      4  -0.274737D+02  0.700446D+02  0.220627D+02
      5   0.284028D+02  0.235905D+02 -0.108381D+02
      6   0.909041D+01  0.103491D+02 -0.150359D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.298193D+01  0.232772D+01 -0.716295D+00  0.751827D+00 -0.225117D+01
      2   0.232772D+01 -0.135934D+01  0.104807D+01 -0.225117D+01  0.236359D+01
      3  -0.716295D+00  0.104807D+01  0.757328D-02  0.140619D+01 -0.237874D+01
                 6             7             8             9            10 
      1   0.140619D+01 -0.194998D+01  0.160180D+01 -0.369457D+00  0.536125D+01
      2  -0.237874D+01  0.160180D+01 -0.289380D+01 -0.819061D+00  0.197948D+01
      3  -0.170095D+01 -0.369457D+00 -0.819061D+00 -0.478848D+01  0.160856D+00
                11            12            13            14            15 
      1   0.197948D+01  0.160856D+00  0.709255D+01  0.413082D+01 -0.139303D+01
      2   0.196263D+01 -0.107732D+01  0.413082D+01  0.363506D-01  0.768141D+00
      3  -0.107732D+01  0.138093D+01 -0.139303D+01  0.768141D+00  0.438753D+01
                16            17            18            19            20 
      1  -0.103452D+00 -0.160008D+01  0.408505D+01 -0.600280D+00  0.492192D+00
      2  -0.160008D+01 -0.345491D+00  0.348366D+01  0.492192D+00 -0.530314D+00
      3   0.408505D+01  0.348366D+01  0.541862D+01  0.329434D+00 -0.239123D+00
                21            22            23            24            25 
      1   0.329434D+00  0.125054D+01 -0.923287D+00 -0.521426D+00  0.209668D+01
      2  -0.239123D+00 -0.923287D+00  0.246109D+01  0.115980D+01 -0.123813D+01
      3  -0.470644D+00 -0.521426D+00  0.115980D+01  0.173114D+01 -0.136756D+01
                26            27            28            29            30 
      1  -0.123813D+01 -0.136756D+01 -0.240287D+01 -0.791144D+00 -0.172715D+01
      2   0.296357D+01  0.229057D+01 -0.791144D+00 -0.663515D+00 -0.230694D+00
      3   0.229057D+01  0.445995D+01 -0.172715D+01 -0.230694D+00 -0.151132D+01
                31            32            33            34            35 
      1  -0.301784D+01 -0.172626D+01 -0.666356D+00 -0.450698D+01 -0.592328D+00
      2  -0.172626D+01 -0.126393D+01 -0.148216D+01 -0.592328D+00 -0.158696D+01
      3  -0.666356D+00 -0.148216D+01 -0.240490D+01 -0.306859D+01 -0.192256D+01
                36            37            38            39            40 
      1  -0.306859D+01  0.874028D+01  0.940720D+00  0.155290D+01 -0.306318D+01
      2  -0.192256D+01  0.940720D+00 -0.289047D+01  0.853134D+00 -0.359594D+01
      3  -0.771756D+01  0.155290D+01  0.853134D+00 -0.169025D+01  0.161352D+01
                41            42            43            44            45 
      1  -0.359594D+01  0.161352D+01  0.557159D+01  0.229776D+01 -0.209863D+01
      2   0.316744D+01  0.351836D+00  0.229776D+01  0.897669D+00 -0.293332D+01
      3   0.351836D+00 -0.321411D+01 -0.209863D+01 -0.293332D+01 -0.458325D+01
                46            47            48            49            50 
      1  -0.180729D+02 -0.275066D+01 -0.577112D+00 -0.343669D+01  0.184765D+01
      2  -0.275066D+01 -0.269450D+01 -0.115557D+00  0.184765D+01 -0.100656D+00
      3  -0.577112D+00 -0.115557D+00 -0.168228D+01  0.102715D+01  0.706913D-02
                51            52            53            54            55 
      1   0.102715D+01 -0.702850D+00  0.954998D+00 -0.376767D+01 -0.441653D+00
      2   0.706913D-02  0.954998D+00  0.792518D-02 -0.654441D+00  0.167618D+00
      3  -0.346146D+00 -0.376767D+01 -0.654441D+00 -0.157407D+01  0.614133D+00
                56            57            58            59            60 
      1   0.167618D+00  0.614133D+00  0.104075D+01  0.173763D+00 -0.520772D+00
      2   0.606492D+00 -0.125021D+00  0.173763D+00  0.497898D+00  0.107859D+01
      3  -0.125021D+00  0.110455D+01 -0.520772D+00  0.107859D+01  0.224370D+01
                61            62            63            64            65 
      1   0.107871D+01  0.741868D-01 -0.659863D+00  0.647685D+00 -0.874242D+00
      2   0.741868D-01  0.139909D+01  0.679500D+00 -0.874242D+00  0.167936D+01
      3  -0.659863D+00  0.679500D+00  0.727415D+01 -0.306746D+00 -0.385586D+00
                66            67            68            69            70 
      1  -0.306746D+00 -0.176342D+01  0.519271D+00  0.116939D+00 -0.650231D+00
      2  -0.385586D+00  0.519271D+00 -0.748558D+01  0.682223D+00 -0.296051D+00
      3   0.658890D+00  0.116939D+00  0.682223D+00 -0.106522D+01  0.216398D+00
                71            72            73            74            75 
      1  -0.296051D+00  0.216398D+00 -0.139971D+02 -0.239335D+01  0.142416D+00
      2   0.273917D+00 -0.744302D+00 -0.239335D+01 -0.138704D+01  0.154988D+00
      3  -0.744302D+00  0.631785D+00  0.142416D+00  0.154988D+00 -0.123476D+01
                76            77            78            79            80 
      1  -0.531998D+00 -0.118472D+01 -0.222579D+00 -0.243505D+01 -0.524787D+00
      2  -0.118472D+01 -0.885578D+00 -0.694950D-01 -0.524787D+00 -0.571718D+00
      3  -0.222579D+00 -0.694950D-01  0.263402D+00 -0.107089D+01  0.650860D-01
                81            82            83            84            85 
      1  -0.107089D+01  0.515445D+01 -0.798855D+00  0.257933D+00  0.837790D+01
      2   0.650860D-01 -0.798855D+00 -0.299689D+01 -0.893304D+00  0.243726D+00
      3  -0.261387D-01  0.257933D+00 -0.893304D+00 -0.153821D+01  0.602269D-01
                86            87            88            89            90 
      1   0.243726D+00  0.602269D-01  0.273270D+01 -0.313139D+00 -0.181801D+01
      2   0.154436D+01 -0.478897D+00 -0.313139D+00 -0.127820D+01  0.360073D+01
      3  -0.478897D+00  0.174514D+01 -0.181801D+01  0.360073D+01  0.850523D+00
                91            92            93            94            95 
      1  -0.384640D+01 -0.314333D+00 -0.509183D+00  0.508621D+01 -0.143978D+00
      2  -0.314333D+00  0.262440D+01 -0.303102D+00 -0.143978D+00  0.952770D+00
      3  -0.509183D+00 -0.303102D+00  0.793804D+00 -0.189499D+00 -0.778390D+00
                96            97            98            99           100 
      1  -0.189499D+00  0.241324D+00 -0.927125D+00  0.216827D+01  0.563556D+01
      2  -0.778390D+00 -0.927125D+00 -0.706134D+00  0.372227D+01  0.294789D+00
      3   0.151253D+01  0.216827D+01  0.372227D+01  0.226812D+01 -0.604028D+00
               101           102           103           104           105 
      1   0.294789D+00 -0.604028D+00  0.971931D+00 -0.688065D+00 -0.108469D+01
      2   0.314707D+01  0.139213D+00 -0.688065D+00 -0.866309D-01 -0.322977D+00
      3   0.139213D+00  0.217353D+01 -0.108469D+01 -0.322977D+00 -0.104435D+00
               106           107           108           109           110 
      1  -0.430012D+00 -0.109527D+01  0.524479D+01 -0.302946D+01 -0.407141D-01
      2  -0.109527D+01  0.199003D+00  0.131257D+00 -0.407141D-01  0.235774D+01
      3   0.524479D+01  0.131257D+00  0.113719D+01 -0.442043D+00  0.819600D+00
               111           112           113           114           115 
      1  -0.442043D+00 -0.570390D+01 -0.572442D+00 -0.888377D+00 -0.190147D+01
      2   0.819600D+00 -0.572442D+00 -0.717159D+00  0.884843D+00 -0.189388D+00
      3   0.137972D+01 -0.888377D+00  0.884843D+00 -0.166608D+01  0.281871D+01
               116           117           118           119           120 
      1  -0.189388D+00  0.281871D+01  0.441304D+01  0.179770D+01  0.474789D+00
      2   0.159220D+01 -0.335232D+01  0.179770D+01 -0.273575D+01  0.710734D-01
      3  -0.335232D+01 -0.845592D+00  0.474789D+00  0.710734D-01 -0.876116D+00
               121           122           123           124           125 
      1  -0.703651D+01 -0.905272D+00  0.301305D+00 -0.103599D+00  0.899676D+00
      2  -0.905272D+00 -0.142234D+01  0.930583D+00  0.899676D+00  0.484379D+00
      3   0.301305D+00  0.930583D+00 -0.129088D+01 -0.975911D+00 -0.330051D+01
               126           127           128           129           130 
      1  -0.975911D+00 -0.285952D+01  0.209360D+01  0.232120D-01  0.233151D+01
      2  -0.330051D+01  0.209360D+01 -0.256834D+01 -0.985057D-01 -0.279789D+01
      3  -0.235058D+01  0.232120D-01 -0.985057D-01 -0.200180D+00 -0.224507D+00
               131           132           133           134           135 
      1  -0.279789D+01 -0.224507D+00 -0.286634D+00 -0.137241D-01  0.978268D-01
      2   0.713125D+01  0.439395D+00 -0.137241D-01  0.450410D+00  0.117543D+00
      3   0.439395D+00  0.739999D+00  0.978268D-01  0.117543D+00 -0.242595D-01
               136           137           138           139           140 
      1   0.294317D+01  0.304172D+01  0.743085D+00  0.279342D+01  0.416276D+01
      2   0.304172D+01  0.322681D+01  0.736849D+00  0.416276D+01  0.883871D+01
      3   0.743085D+00  0.736849D+00  0.587068D+00  0.829072D+00  0.164422D+01
               141           142           143           144           145 
      1   0.829072D+00  0.726228D+00  0.989916D+00  0.323577D+00  0.133519D+02
      2   0.164422D+01  0.989916D+00  0.180346D+01  0.469538D+00  0.385906D+00
      3   0.115235D+01  0.323577D+00  0.469538D+00  0.268873D+00  0.133699D+01
               146           147           148           149           150 
      1   0.385906D+00  0.133699D+01  0.273256D+00  0.159315D+01  0.297083D+00
      2   0.787641D+00  0.201513D-01  0.159315D+01  0.147012D+00  0.170593D+00
      3   0.201513D-01  0.103421D+01  0.297083D+00  0.170593D+00  0.804390D-01
               151           152           153           154           155 
      1   0.154804D+01  0.322721D+00  0.252714D+00  0.409729D+01 -0.361203D+01
      2   0.322721D+00  0.922410D-01  0.149272D-01 -0.361203D+01  0.358165D+01
      3   0.252714D+00  0.149272D-01  0.205991D+00 -0.320416D+00  0.259990D+00
               156           157           158           159           160 
      1  -0.320416D+00 -0.346069D+01  0.454507D+01  0.613693D+00 -0.260259D+00
      2   0.259990D+00  0.454507D+01 -0.769710D+01 -0.872497D+00  0.436336D+00
      3   0.503527D+00  0.613693D+00 -0.872497D+00 -0.874278D+00  0.126328D+00
               161           162           163           164           165 
      1   0.436336D+00  0.126328D+00 -0.211254D+01 -0.194612D+01 -0.432774D+00
      2  -0.978068D+00 -0.297016D+00 -0.194612D+01 -0.214762D+01 -0.634859D+00
      3  -0.297016D+00 -0.170018D+00 -0.432774D+00 -0.634859D+00 -0.420059D+00
               166           167           168           169           170 
      1  -0.195566D+01 -0.242719D+01 -0.553935D+00 -0.664741D+00 -0.787371D+00
      2  -0.242719D+01 -0.748151D+01 -0.173414D+01 -0.787371D+00 -0.180349D+01
      3  -0.553935D+00 -0.173414D+01 -0.118923D+01 -0.137077D+00 -0.551571D+00
               171 
      1  -0.137077D+00
      2  -0.551571D+00
      3  -0.435255D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.148495D+00 -0.351632D+00  0.670164D+00 -0.153640D+00  0.796324D-01
      2  -0.717140D+00 -0.264432D+00  0.424316D+01 -0.140661D+01  0.431172D+01
      3   0.263520D+01 -0.898551D+01  0.114400D+01  0.137809D+01  0.672321D+01
                 6             7             8             9            10 
      1  -0.656331D+00 -0.472680D+01  0.679258D+01  0.859513D+01 -0.243358D+01
      2   0.339604D+01 -0.100669D+01  0.434564D+01  0.116998D+02  0.180502D+01
      3  -0.566786D+01 -0.147842D-01 -0.647387D+01 -0.278321D+01  0.726331D+01
                11            12            13            14            15 
      1  -0.369197D-01  0.913789D+00 -0.118937D+01 -0.531225D+00  0.531217D+00
      2   0.172274D+01 -0.119703D+01  0.484408D+01  0.861232D+00 -0.706996D+01
      3   0.231722D+01 -0.364233D+00  0.139132D+02 -0.710805D+01  0.152309D+01
                16            17            18            19            20 
      1   0.482086D+01  0.517246D+01 -0.610773D+00 -0.484716D+00  0.406667D+00
      2  -0.159578D+02 -0.771735D+01 -0.835575D+01 -0.214442D+01  0.807490D+00
      3  -0.929000D+00 -0.140592D+01  0.676674D+01  0.264068D+01 -0.493874D+00
                21            22            23            24            25 
      1   0.604705D+00  0.105957D+01 -0.309051D+01 -0.409535D+01  0.331566D+01
      2   0.131687D+01  0.938325D+00 -0.339573D+01 -0.469376D+01  0.814371D+00
      3  -0.545441D-01  0.419827D+00  0.514396D+01  0.294037D+01 -0.756651D-01
                26            27            28            29            30 
      1  -0.312223D+01 -0.943829D+01 -0.694945D+00  0.112585D+01 -0.584785D+00
      2  -0.641393D+01 -0.115851D+02  0.162827D+01  0.386711D+00  0.295021D+01
      3   0.752737D+01  0.547605D+01 -0.175475D+01 -0.338987D+01 -0.340894D+00
                31            32            33            34            35 
      1   0.119729D+01  0.722458D+00 -0.976095D+00 -0.130448D+01  0.223521D+01
      2  -0.328993D+00  0.131270D+01  0.442126D+01  0.192022D+01  0.309183D+01
      3  -0.209438D+01 -0.131384D+01 -0.310392D+01 -0.935519D-01 -0.310817D+01
                36            37            38            39            40 
      1  -0.133463D+01  0.406478D+01 -0.222900D+01 -0.236547D+01  0.607368D+00
      2   0.126930D+02 -0.119161D+02 -0.398362D+01  0.648483D+01 -0.613704D+01
      3  -0.386942D+01 -0.826624D+01 -0.137237D+02  0.141196D+00 -0.823115D+01
                41            42            43            44            45 
      1   0.701555D+01 -0.684759D+01 -0.126394D+01 -0.270477D+01 -0.698259D+01
      2   0.113318D+00  0.764128D+01  0.188595D+01  0.731200D+01  0.127077D+02
      3   0.170257D+02 -0.377023D+00  0.201428D+01 -0.104262D+01 -0.659907D+01
                46            47            48            49            50 
      1   0.987319D+00 -0.898485D+00 -0.539737D+00 -0.354865D+01 -0.158854D+01
      2  -0.251217D-01 -0.195859D+01 -0.999231D+00 -0.194217D+01  0.517761D+00
      3  -0.791521D+01  0.632283D+01  0.701534D+00  0.169481D+02 -0.233101D+00
                51            52            53            54            55 
      1   0.695721D+00  0.111003D+01  0.103651D+02  0.219225D+01  0.101460D+01
      2   0.947315D+00 -0.127827D+02  0.490148D+00  0.364984D+00 -0.187644D+01
      3   0.245153D+00 -0.225870D+00  0.269620D+01 -0.984959D+00  0.105392D+01
                56            57            58            59            60 
      1   0.105074D+01  0.886338D+00  0.159184D+00  0.252223D+01  0.209669D+01
      2  -0.946007D-02 -0.242383D+01 -0.128439D+00 -0.288894D+01 -0.549645D+01
      3   0.114202D+01 -0.816817D+00  0.125534D+01  0.101840D+01  0.288018D+01
                61            62            63            64            65 
      1  -0.471475D+00  0.514311D+01  0.951549D+01 -0.196933D+01  0.152012D+01
      2  -0.239444D+01 -0.249255D+01 -0.180219D+02 -0.300737D+00  0.124656D+01
      3  -0.968861D+00  0.392256D+01  0.266600D+01 -0.669168D+01  0.595122D+01
                66            67            68            69            70 
      1   0.162593D+01  0.137460D+01 -0.565653D+01 -0.297003D+01  0.691453D+00
      2  -0.873291D+00  0.129892D+01 -0.254867D+01  0.201198D+01 -0.148347D+01
      3   0.215880D+00  0.809186D+01 -0.209683D+02  0.137000D+01  0.912741D+00
                71            72            73            74            75 
      1   0.373873D+00  0.269550D+00 -0.481881D+00 -0.837333D+00 -0.184119D+01
      2   0.139435D+01 -0.139060D+01  0.743992D+01  0.781850D+00  0.638250D+01
      3   0.659383D+00 -0.250051D+01  0.915928D+01 -0.469916D+01  0.475906D+00
                76            77            78            79            80 
      1  -0.678656D+00 -0.663452D+00 -0.390913D+00 -0.130667D+01  0.694741D+00
      2   0.119203D+01  0.569798D+00 -0.447579D+00  0.237420D+01 -0.384857D+00
      3  -0.760900D+00 -0.186782D+01 -0.205061D+00  0.246337D+00 -0.975935D+00
                81            82            83            84            85 
      1   0.230801D-01 -0.120166D+01 -0.587679D-01  0.200268D+01 -0.104795D+01
      2   0.651539D+00  0.247530D+01 -0.125057D+00 -0.667746D+00  0.346630D+01
      3   0.162467D+01  0.648981D+01 -0.105754D+01  0.180087D+01  0.538821D+01
                86            87            88            89            90 
      1  -0.113676D+00 -0.224398D+01  0.575845D+01  0.262819D+01  0.262560D+00
      2   0.118348D+01  0.706624D+00 -0.128122D+02  0.534041D+00 -0.545910D+00
      3  -0.549670D+01  0.433602D+00  0.178856D+01 -0.122455D+01 -0.566027D+01
                91            92            93            94            95 
      1   0.144161D+01  0.747014D+00 -0.125265D+01  0.899703D+00 -0.833475D-01
      2  -0.166118D+00  0.120092D+01  0.639035D+00  0.103309D+01 -0.273167D+01
      3  -0.347847D+01 -0.107745D+02 -0.201302D+01  0.536725D+01 -0.158211D+01
                96            97            98            99           100 
      1  -0.214576D+01 -0.562552D+01  0.158889D+01 -0.988074D+00  0.609478D-01
      2   0.408869D+01 -0.765257D+01  0.968924D+01  0.364197D+01 -0.824265D-01
      3   0.166287D+01 -0.152712D+00  0.186134D+01 -0.503613D+01  0.563066D+00
               101           102           103           104           105 
      1  -0.101658D+01 -0.448585D+00 -0.998201D+00 -0.259818D+01  0.117514D+01
      2   0.879957D-01  0.619217D+01 -0.353256D+01  0.350019D-01 -0.430794D+00
      3  -0.664794D+01 -0.904348D-01  0.124014D+02  0.342164D+01  0.167899D+01
               106           107           108           109           110 
      1  -0.873461D+00  0.116184D+02  0.202673D+01 -0.132315D+01  0.403727D-01
      2   0.798455D+01  0.598002D+00  0.182103D+01 -0.609443D+00  0.244626D+01
      3   0.358701D+01  0.101498D+01  0.833963D+00 -0.194586D+01 -0.134224D+02
               111           112           113           114           115 
      1   0.199098D+01 -0.160585D+01  0.388173D+00 -0.194170D+01  0.675644D+01
      2   0.218474D+01 -0.973135D+00  0.280744D+01 -0.400426D+01 -0.564411D+01
      3  -0.219572D+01  0.438789D+01 -0.185267D+01 -0.187648D+01 -0.643132D+00
               116           117           118           119           120 
      1   0.258868D+01  0.164052D+01  0.245605D+00  0.850651D+00 -0.156042D+01
      2  -0.103679D+02 -0.255296D+01  0.318310D+01  0.148421D+01 -0.565637D+00
      3  -0.415230D+01  0.403718D+01  0.951787D+00 -0.182211D+01 -0.191762D+01
               121           122           123           124           125 
      1   0.162406D+01 -0.876841D+00 -0.215430D+01 -0.586639D+01  0.237964D+01
      2   0.152791D+01 -0.149980D+01 -0.129075D+01 -0.135197D+02 -0.112268D+01
      3   0.439367D-01  0.791211D+01  0.189525D+00 -0.430198D+01 -0.613867D+00
               126           127           128           129           130 
      1  -0.124122D+01  0.387119D+00 -0.425077D+00  0.159810D+01  0.278722D+00
      2  -0.327341D+01  0.121879D+01 -0.391499D+00  0.134417D+00 -0.420303D+00
      3   0.597421D+01 -0.926395D+01  0.427405D+01  0.146021D-01  0.758208D+01
               131           132           133           134           135 
      1  -0.110085D-01 -0.325119D+01 -0.551040D+00  0.171777D+01  0.148024D+00
      2   0.989909D+00 -0.765666D+00 -0.137520D+01  0.366217D+00 -0.108893D+00
      3  -0.669010D+01 -0.813929D+00 -0.594283D+00  0.259267D+00  0.125634D+00
               136           137           138           139           140 
      1  -0.228977D+00 -0.156830D-01 -0.193412D+01 -0.888873D-01  0.544880D+00
      2   0.555671D+00  0.853280D+00  0.207505D+01  0.687057D+00  0.263383D+01
      3  -0.103958D+01 -0.310535D+01 -0.520411D+00 -0.217039D+01 -0.132267D+02
               141           142           143           144           145 
      1  -0.397707D+01  0.561347D+00  0.172018D+01 -0.512969D+00 -0.945479D-01
      2   0.342191D+01 -0.335534D+00 -0.699746D-01  0.649369D+00  0.191036D+01
      3  -0.227428D+01 -0.488246D+00 -0.264820D+01 -0.403164D+00  0.194124D+00
               146           147           148           149           150 
      1   0.440441D+00 -0.202646D+00  0.251683D+00 -0.665179D-02 -0.298751D+00
      2  -0.112845D+00  0.628696D+01  0.117915D+01  0.338520D+00  0.377949D+00
      3  -0.517514D+01  0.205380D+00 -0.395854D+01 -0.278931D+00 -0.431903D+00
               151           152           153           154           155 
      1   0.500881D-01  0.452462D+00 -0.184421D-01  0.294499D+00 -0.611420D+00
      2  -0.210789D+01  0.811312D-01  0.679857D+00  0.320763D+00 -0.378111D+00
      3  -0.113068D+01 -0.521295D+00 -0.273675D+00  0.117444D+01 -0.433172D+01
               156           157           158           159           160 
      1   0.205221D+01  0.212631D+00  0.211562D+00 -0.360290D+01 -0.795709D+00
      2   0.230903D+01  0.401010D+00 -0.946504D+00 -0.319567D+01 -0.521622D+00
      3  -0.373559D-01 -0.315537D+01  0.121817D+02  0.103661D+01 -0.698660D+00
               161           162           163           164           165 
      1   0.135576D+01 -0.307670D+00  0.564811D+00  0.299043D+00 -0.161529D+01
      2   0.439953D+00 -0.292478D+00 -0.164718D+01 -0.104882D+01  0.200983D+00
      3   0.185877D+01  0.408429D+00  0.744935D+01  0.440764D+01  0.902562D+00
               166           167           168           169           170 
      1   0.594366D+00  0.989910D+00 -0.362003D+01  0.501902D+00  0.221382D+01
      2  -0.169861D+01 -0.166339D+01  0.381860D+00 -0.176676D+01 -0.556935D+00
      3   0.757493D+01  0.797524D+01  0.183993D+01  0.176850D+01  0.236686D+01
               171 
      1  -0.489554D+00
      2   0.167832D+00
      3   0.197527D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.197800D+02 -0.452473D+01  0.305658D+01 -0.686510D+01  0.224820D+01
      2  -0.791260D+01 -0.108172D+01 -0.125844D+01 -0.851322D+00  0.882719D+01
      3  -0.118674D+02  0.560645D+01 -0.179814D+01  0.771642D+01 -0.110754D+02
      4  -0.161438D+02  0.178076D+02 -0.582674D+01  0.215360D+02 -0.184322D+02
      5   0.512361D+01 -0.503994D+01  0.759164D+01 -0.914762D+01  0.117783D+02
      6  -0.282463D+01  0.190013D+01 -0.268365D+01  0.373051D+01 -0.915131D+01
                 6             7             8             9            10 
      1   0.499586D+00  0.335097D+01  0.195803D+01  0.158766D+01  0.946896D+01
      2  -0.293698D+01 -0.196968D+01 -0.468968D+01 -0.729691D+01 -0.263080D+01
      3   0.243739D+01 -0.138129D+01  0.273166D+01  0.570924D+01 -0.683816D+01
      4   0.120073D+02 -0.104757D+02  0.147916D+02  0.400693D+01 -0.763544D+01
      5   0.516290D+01  0.662896D+01  0.356556D+01  0.237190D+02 -0.435966D+00
      6   0.380983D+01  0.117448D+01 -0.186507D+00 -0.136607D+02  0.148210D+01
                11            12            13            14            15 
      1   0.164978D+01 -0.159606D+01  0.367710D+01 -0.766875D+01  0.422674D+01
      2   0.133239D+01  0.899734D+00  0.446908D+01  0.381591D+01 -0.518843D+00
      3  -0.298217D+01  0.696321D+00 -0.814618D+01  0.385284D+01 -0.370789D+01
      4  -0.169436D+02  0.410684D+01 -0.275434D+02  0.410254D+01 -0.295808D+01
      5   0.445885D+01 -0.114397D+02  0.102955D+02 -0.295914D+01 -0.167877D+02
      6   0.239450D+01 -0.211941D+01  0.136806D+01  0.522803D+01 -0.946671D+01
                16            17            18            19            20 
      1   0.132990D+02  0.461554D+01 -0.478884D+00  0.346722D+01 -0.352050D+01
      2   0.121808D+01  0.341954D+01  0.889239D+01 -0.163384D+01  0.112790D+01
      3  -0.145171D+02 -0.803508D+01 -0.841351D+01 -0.183338D+01  0.239260D+01
      4   0.114750D+02  0.340257D+01 -0.183183D+02 -0.442346D+01  0.278702D+01
      5  -0.214117D+02 -0.169386D+02 -0.222147D+02 -0.226015D+01  0.175750D+01
      6  -0.112899D+02 -0.424783D+01 -0.471024D+01  0.140357D+01 -0.821486D-02
                21            22            23            24            25 
      1  -0.265267D+01 -0.395348D+01 -0.299664D+01 -0.134069D+01 -0.498490D+01
      2   0.642491D+00  0.396715D+00  0.581873D+01  0.315430D+01  0.216214D+01
      3   0.201018D+01  0.355677D+01 -0.282209D+01 -0.181361D+01  0.282276D+01
      4   0.244530D+01  0.653655D+01 -0.114975D+02 -0.608820D+01  0.847943D+01
      5   0.277045D+01  0.286687D+01 -0.559849D+01 -0.815295D+01  0.765024D+01
      6  -0.777457D+00 -0.173281D+01  0.480355D+01  0.716417D+01 -0.420368D+01
                26            27            28            29            30 
      1  -0.104225D+01 -0.278639D+01  0.494649D+01  0.128942D+01  0.424150D+01
      2   0.348320D+01  0.212796D+01 -0.642209D+01 -0.131774D+01 -0.459983D+01
      3  -0.244095D+01  0.658434D+00  0.147560D+01  0.283134D-01  0.358333D+00
      4  -0.145405D+02 -0.115166D+02  0.480199D+01  0.661077D+01  0.229969D+01
      5  -0.109913D+02 -0.210921D+02  0.100187D+02  0.229624D+01  0.125386D+02
      6   0.904527D+01  0.132467D+02  0.265114D+01  0.134154D+00  0.170216D+01
                31            32            33            34            35 
      1   0.116367D+01 -0.219287D+01 -0.324485D+01  0.251747D+01 -0.300562D+01
      2  -0.280949D+01 -0.417059D+00 -0.585886D+00 -0.878510D+01 -0.250197D+01
      3   0.164581D+01  0.260993D+01  0.383073D+01  0.626763D+01  0.550759D+01
      4   0.102553D+02  0.592332D+01  0.676665D+01  0.356020D+01  0.723227D+01
      5   0.401387D+01  0.640738D+01  0.103318D+02  0.192155D+02  0.863636D+01
      6   0.265064D+01  0.492057D+01  0.921410D+01  0.538962D+01  0.655820D+01
                36            37            38            39            40 
      1  -0.105647D+02 -0.577658D+02 -0.159349D+02 -0.135035D+01 -0.723004D+01
      2  -0.144878D+02  0.243619D+02  0.147457D+02  0.388085D+01  0.630643D+01
      3   0.250526D+02  0.334039D+02  0.118917D+01 -0.253050D+01  0.923608D+00
      4   0.900788D+01 -0.179452D+02  0.121903D+02 -0.471710D+01  0.179956D+02
      5   0.329660D+02 -0.247972D+01 -0.228991D+01  0.100911D+02 -0.844067D+01
      6   0.107339D+02 -0.392964D+01 -0.588713D+01  0.383487D+01 -0.624593D+01
                41            42            43            44            45 
      1   0.206462D+02  0.198584D+01 -0.130621D+02 -0.564432D+00  0.121806D+02
      2  -0.224973D+02  0.628318D+01  0.643488D+01  0.398993D+01  0.790322D+01
      3   0.185116D+01 -0.826902D+01  0.662724D+01 -0.342550D+01 -0.200838D+02
      4  -0.839514D+01 -0.245565D+01 -0.160782D+02 -0.448962D+01  0.184957D+02
      5  -0.553448D+01  0.150954D+02  0.147475D+02  0.153969D+02  0.175148D+02
      6  -0.452942D+00  0.647864D+01  0.820458D+01  0.632807D+01 -0.146564D+01
                46            47            48            49            50 
      1  -0.185662D+02 -0.150526D+00  0.165065D+00  0.152115D+01 -0.687749D+01
      2   0.558299D+01 -0.365831D+00 -0.214431D+00 -0.203026D+01  0.116211D+02
      3   0.129832D+02  0.516357D+00  0.493668D-01  0.509108D+00 -0.474357D+01
      4   0.132074D+02  0.607450D+01  0.504950D+00 -0.101230D+02 -0.171145D+01
      5  -0.726918D+00 -0.138390D-01  0.150724D+01 -0.341054D+01 -0.476334D+00
      6  -0.103136D+01  0.149751D+00  0.472126D+00 -0.198592D+01  0.253262D+01
                51            52            53            54            55 
      1  -0.100216D+00 -0.754976D+01 -0.103950D+01 -0.954019D+01  0.391195D+01
      2   0.375007D+01  0.165088D+01  0.150991D+01 -0.409849D+01 -0.411623D+01
      3  -0.364985D+01  0.589889D+01 -0.470411D+00  0.136387D+02  0.204281D+00
      4  -0.114120D+01 -0.313203D+01 -0.179258D+01  0.324712D+01  0.644784D+00
      5   0.194497D+01  0.312505D+01  0.246698D+01  0.102082D+00 -0.265514D+01
      6  -0.144445D+01 -0.707554D+00  0.468363D+01 -0.345028D+01  0.998287D-01
                56            57            58            59            60 
      1   0.791557D+00 -0.625624D+01 -0.237002D+01 -0.471595D+01 -0.228147D+01
      2  -0.127694D+01  0.652177D+00  0.207690D+01  0.100025D+01 -0.558866D+01
      3   0.485382D+00  0.560406D+01  0.293124D+00  0.371570D+01  0.787013D+01
      4  -0.203405D+01 -0.382743D+00 -0.229816D+00 -0.343990D+01 -0.527153D+01
      5   0.972489D+00  0.328918D+00  0.414069D+01 -0.401519D+01 -0.100565D+02
      6   0.162996D+01 -0.106587D+01 -0.113666D+00  0.208953D+01  0.363071D+01
                61            62            63            64            65 
      1  -0.560737D+01 -0.892779D+00 -0.165698D+02 -0.150252D+01  0.943712D+01
      2   0.437919D+01 -0.407003D+01 -0.172831D+02  0.437491D+01 -0.989563D+01
      3   0.122818D+01  0.496280D+01  0.338529D+02 -0.287239D+01  0.458509D+00
      4  -0.197141D+01 -0.724651D+01 -0.551207D+01  0.141296D+01 -0.255450D+01
      5   0.810668D+01 -0.313552D+01 -0.308566D+02  0.181964D+01 -0.356122D+00
      6   0.764522D+00  0.418178D+01 -0.695231D+01 -0.101516D+00  0.291502D+01
                66            67            68            69            70 
      1  -0.984124D+00  0.937001D+01 -0.248832D+02  0.227651D+01  0.168359D+01
      2  -0.981703D-01 -0.660309D+01  0.375501D+02 -0.143334D+01 -0.896860D+00
      3   0.108229D+01 -0.276692D+01 -0.126668D+02 -0.843172D+00 -0.786733D+00
      4   0.123814D+01  0.403341D+01  0.291287D+02 -0.281890D+01  0.226413D+01
      5  -0.196759D+01 -0.297701D+01 -0.611563D+00  0.402736D+01  0.252106D+00
      6  -0.263382D+01  0.668006D+00 -0.100251D+02  0.621715D+01 -0.138275D+01
                71            72            73            74            75 
      1   0.200277D+01 -0.548743D+01  0.858051D+02  0.111002D+02  0.203767D+01
      2  -0.522879D+00  0.291845D+01 -0.412305D+02 -0.276678D+01  0.642661D+00
      3  -0.147990D+01  0.256898D+01 -0.445746D+02 -0.833342D+01 -0.268033D+01
      4  -0.380393D+00  0.160614D+01  0.323450D+02  0.154077D+02 -0.228904D+00
      5   0.223150D+01 -0.209532D+01 -0.101298D+02 -0.199841D+01  0.106323D+02
      6   0.645797D+01 -0.133455D+01 -0.844770D+00 -0.155961D+01  0.338932D+01
                76            77            78            79            80 
      1   0.189523D+01  0.520870D+01  0.205069D+00  0.106524D+02  0.105411D+01
      2   0.171035D+01  0.387295D+00 -0.568889D+00 -0.435057D+01 -0.144237D+00
      3  -0.360558D+01 -0.559600D+01  0.363820D+00 -0.630187D+01 -0.909875D+00
      4   0.126730D+02  0.700098D+01  0.560214D+00  0.489963D+01  0.326161D+01
      5   0.601661D+00 -0.165925D+00 -0.727594D+00  0.101153D+02  0.311071D+00
      6  -0.752540D+00 -0.632094D+00  0.824133D+00  0.294873D+01  0.771425D+00
                81            82            83            84            85 
      1   0.625327D+01  0.530202D+01  0.135043D+02  0.434258D+01 -0.305526D+01
      2  -0.529186D+01 -0.544223D+01 -0.965285D+01 -0.154352D+01  0.119629D+02
      3  -0.961410D+00  0.140211D+00 -0.385150D+01 -0.279906D+01 -0.890765D+01
      4   0.120600D+01  0.576996D+01 -0.123644D+02 -0.177858D+00  0.243207D+01
      5   0.469348D+00  0.192535D+01 -0.484634D+00 -0.687003D+00  0.198179D+01
      6   0.688838D+00  0.299347D+01 -0.308888D+01 -0.439161D+01  0.547739D+01
                86            87            88            89            90 
      1   0.329424D+01  0.218409D+01  0.676022D+00  0.418481D+01 -0.146783D+02
      2  -0.808250D+01 -0.184029D+01  0.251403D+01 -0.574442D+01  0.348733D+01
      3   0.478827D+01 -0.343795D+00 -0.319005D+01  0.155961D+01  0.111910D+02
      4   0.144360D+02  0.202814D+01  0.261194D+00 -0.162171D+01  0.282315D+01
      5   0.193605D+01  0.685148D-02  0.423822D+01  0.293185D+01 -0.183453D+01
      6  -0.287666D+01  0.542990D+01 -0.333977D+01  0.146653D+02  0.374006D+00
                91            92            93            94            95 
      1   0.375899D+01 -0.198929D+02 -0.193252D+01  0.253473D+02  0.102681D+02
      2  -0.411190D+01  0.128273D+02  0.836706D+00 -0.230720D+02 -0.139898D+02
      3   0.352912D+00  0.706557D+01  0.109581D+01 -0.227534D+01  0.372165D+01
      4  -0.108803D+02 -0.581344D+01 -0.536330D+01  0.536195D+01 -0.658096D+01
      5  -0.437166D+01 -0.494463D+01 -0.768862D+00 -0.189687D+00 -0.561323D+01
      6  -0.573916D+01 -0.249712D+01  0.331001D+01 -0.470201D+01 -0.867438D+01
                96            97            98            99           100 
      1   0.270174D+01  0.249197D+01 -0.309668D+01 -0.472686D+01 -0.126537D+02
      2  -0.543186D+01 -0.656364D+01 -0.491442D+01 -0.507368D+01  0.875043D+01
      3   0.273012D+01  0.407167D+01  0.801111D+01  0.980054D+01  0.390323D+01
      4  -0.540056D+01 -0.513929D+01 -0.973800D+01  0.149736D+02 -0.205627D+01
      5   0.880588D+01  0.129937D+02  0.154201D+02  0.739895D+01 -0.819069D+01
      6   0.368914D+01  0.641947D+01  0.135912D+02  0.313002D+01  0.121644D+01
               101           102           103           104           105 
      1  -0.817104D+00 -0.687180D+01  0.385003D+01 -0.205885D+02 -0.623520D+01
      2   0.621283D+00  0.413059D+01 -0.197836D+01  0.171989D+02  0.756440D+01
      3   0.195821D+00  0.274121D+01 -0.187166D+01  0.338965D+01 -0.132920D+01
      4   0.227825D+02  0.132789D+01 -0.186947D+02 -0.604453D+01 -0.352834D+01
      5   0.121954D+01  0.138229D+02 -0.965657D+01 -0.250199D+01 -0.136995D+01
      6   0.957920D+00  0.112459D+01 -0.297264D+01  0.286742D+01 -0.257610D+01
               106           107           108           109           110 
      1  -0.101473D+02 -0.661923D+01  0.148197D+02  0.381403D+01  0.210140D+02
      2   0.412224D+01  0.560427D+01 -0.177073D+02 -0.649298D+01 -0.121848D+02
      3   0.602502D+01  0.101496D+01  0.288753D+01  0.267894D+01 -0.882924D+01
      4  -0.104788D+02  0.865600D+00 -0.673964D+00  0.183543D+02  0.861536D+00
      5   0.347086D+02  0.404482D+00  0.505883D+01  0.226722D+00  0.380526D+01
      6   0.212296D+00  0.413181D+01 -0.299172D+01  0.209767D+01 -0.284170D+01
               111           112           113           114           115 
      1   0.461950D+01 -0.247231D+02  0.612684D+01  0.668864D+00 -0.708972D+01
      2  -0.491156D+00  0.234584D+02 -0.111230D+02 -0.859518D+00  0.796267D+01
      3  -0.412835D+01  0.126470D+01  0.499613D+01  0.190655D+00 -0.872943D+00
      4   0.429615D+01  0.423931D+01  0.136500D+02  0.791734D+01  0.211042D+01
      5   0.469558D+01 -0.395663D+01  0.707403D+01 -0.825039D+01  0.174162D+02
      6  -0.494106D+01  0.608265D+01 -0.496531D+01  0.496314D+01 -0.789588D+01
               116           117           118           119           120 
      1   0.603498D+01  0.514233D+00  0.599484D+01 -0.112783D+02  0.191719D+00
      2  -0.814258D+01 -0.623929D+01 -0.524962D+01  0.930143D+01 -0.106605D+01
      3   0.210760D+01  0.572505D+01 -0.745214D+00  0.197691D+01  0.874326D+00
      4   0.741882D+01 -0.152945D+02 -0.107054D+02 -0.175783D+02 -0.388366D+01
      5  -0.154587D+02 -0.629632D+01 -0.352871D-01 -0.370634D+01 -0.317005D+01
      6   0.130565D+02 -0.165659D+01 -0.280353D+01 -0.206427D+01  0.349806D+01
               121           122           123           124           125 
      1   0.299110D+01  0.806983D+01  0.490165D+01  0.182219D+01  0.192142D+01
      2  -0.104306D+02 -0.109169D+02 -0.602047D+01 -0.449486D+01 -0.733464D+01
      3   0.743949D+01  0.284708D+01  0.111882D+01  0.267267D+01  0.541321D+01
      4   0.115154D+02 -0.129242D+02 -0.189788D+01  0.167934D+00 -0.460233D+01
      5   0.208063D+00 -0.208640D+01 -0.622123D+00 -0.883808D-01 -0.476601D+01
      6  -0.521817D+01 -0.935678D+01  0.249451D+01  0.372647D+01  0.122298D+02
               126           127           128           129           130 
      1  -0.151283D+02 -0.456665D+01  0.774976D+01  0.180231D+00  0.854464D+01
      2   0.106833D+01  0.673290D+01 -0.108692D+02 -0.268274D+00 -0.117653D+02
      3   0.140599D+02 -0.216625D+01  0.311948D+01  0.880433D-01  0.322067D+01
      4  -0.596435D+01 -0.761550D+01  0.750704D+01  0.643722D+00  0.738008D+01
      5  -0.543691D+01 -0.591626D+00  0.866512D+00  0.672348D+00  0.881303D+00
      6   0.541398D+01 -0.104651D+00  0.164751D-01 -0.176836D+01 -0.972444D+00
               131           132           133           134           135 
      1  -0.255208D+02 -0.184926D+01  0.198804D+00 -0.166177D+01 -0.843346D+00
      2   0.348610D+02  0.157300D+01 -0.580974D+00  0.230864D+01  0.133074D+01
      3  -0.934019D+01  0.276256D+00  0.382170D+00 -0.646871D+00 -0.487397D+00
      4  -0.736528D+01 -0.470722D+00  0.932997D-01  0.649519D-01 -0.136154D+01
      5  -0.100178D+01 -0.830250D+00  0.508283D+00 -0.707842D+00  0.261640D-01
      6   0.238092D+01  0.515580D+01 -0.548308D+00  0.181983D+01  0.385655D+00
               136           137           138           139           140 
      1   0.850183D+01  0.699943D+01  0.134922D+01  0.866318D+00 -0.103414D+02
      2   0.209258D+01  0.428618D+01 -0.638015D-03  0.110514D+02  0.318608D+02
      3  -0.105944D+02 -0.112856D+02 -0.134859D+01 -0.119177D+02 -0.215194D+02
      4   0.230111D+02  0.261437D+02  0.539237D+01  0.276261D+02  0.483026D+02
      5   0.498592D+01  0.525773D+01  0.522296D+01  0.516878D+01  0.830111D+01
      6   0.365293D+01  0.402612D+01  0.324964D+01  0.515297D+01  0.106732D+02
               141           142           143           144           145 
      1  -0.211749D+01  0.103913D+01 -0.122909D+01 -0.135360D+01  0.101610D+03
      2   0.396311D+01  0.142477D+01  0.475939D+01  0.218343D+01 -0.585146D+02
      3  -0.184562D+01 -0.246389D+01 -0.353030D+01 -0.829830D+00 -0.430955D+02
      4   0.867470D+01  0.668105D+01  0.101178D+02  0.380454D+01  0.358443D+01
      5   0.605689D+01  0.242636D+01  0.328555D+01  0.212944D+01  0.128395D+02
      6   0.807394D+01  0.238171D+01  0.484587D+01  0.279500D+01 -0.206055D+01
               146           147           148           149           150 
      1   0.294354D+01  0.849669D+01  0.157306D+01  0.961960D+01  0.123604D+01
      2  -0.148503D+01 -0.586345D+01 -0.726446D+00 -0.491993D+01 -0.109697D+01
      3  -0.145851D+01 -0.263324D+01 -0.846618D+00 -0.469967D+01 -0.139070D+00
      4   0.838277D+01  0.171178D-01  0.151872D+02  0.115198D+01  0.143757D+01
      5   0.970394D-01  0.110158D+02  0.241135D+01  0.152061D+01  0.613863D+00
      6   0.547991D+00 -0.201516D-01  0.110892D+01 -0.223332D+00  0.154532D+01
               151           152           153           154           155 
      1   0.111385D+02  0.147680D+01  0.429867D+01  0.154781D+02 -0.107339D+02
      2  -0.676411D+01 -0.958574D+00 -0.295077D+01 -0.331822D+00 -0.332196D+01
      3  -0.437442D+01 -0.518224D+00 -0.134790D+01 -0.151463D+02  0.140558D+02
      4   0.251057D+01  0.121211D+01  0.585477D+00 -0.294849D+02  0.299713D+02
      5   0.490575D+01  0.417466D+00  0.254682D+01 -0.350947D+01  0.261218D+01
      6   0.990549D-01  0.774036D+00  0.259692D+00  0.112026D+01 -0.927354D+00
               156           157           158           159           160 
      1  -0.137717D+01 -0.534550D+01 -0.181009D+01  0.551179D-01  0.446684D+00
      2   0.339869D+00 -0.949173D+01  0.239758D+02  0.120391D+01 -0.147151D+01
      3   0.103730D+01  0.148372D+02 -0.221657D+02 -0.125903D+01  0.102483D+01
      4   0.244591D+01  0.326468D+02 -0.482685D+02 -0.539481D+01  0.317815D+01
      5   0.495906D+01  0.453217D+01 -0.597459D+01 -0.548957D+01  0.201608D+01
      6  -0.282067D+01 -0.287403D+01  0.441571D+01  0.607394D+01 -0.170284D+01
               161           162           163           164           165 
      1  -0.101246D+01 -0.814800D+00 -0.510073D+01 -0.753987D+01 -0.285463D+01
      2   0.275652D+01  0.143960D+01  0.635146D+01  0.893307D+01  0.197628D+01
      3  -0.174406D+01 -0.624804D+00 -0.125073D+01 -0.139320D+01  0.878352D+00
      4  -0.511879D+01 -0.300579D+01  0.532331D+01  0.719396D+01  0.135339D+01
      5  -0.218335D+01 -0.979494D+00  0.550834D+00  0.981650D+00  0.152974D+01
      6   0.307685D+01  0.138091D+01  0.272238D+01  0.420228D+01  0.264130D+01
               166           167           168           169           170 
      1  -0.830038D+01 -0.288409D+02 -0.743286D+01 -0.227827D+01 -0.674542D+01
      2   0.104129D+02  0.369395D+02  0.671130D+01  0.260583D+01  0.753124D+01
      3  -0.211254D+01 -0.809856D+01  0.721561D+00 -0.327568D+00 -0.785817D+00
      4   0.593510D+01  0.252855D+01  0.137893D+00  0.159447D+01  0.116317D+01
      5   0.676696D+00 -0.478404D+00  0.241038D+00  0.120846D+01  0.678316D+00
      6   0.343492D+01  0.119376D+02  0.806830D+01  0.131462D+01  0.464914D+01
               171 
      1  -0.291183D+01
      2   0.284734D+01
      3   0.644873D-01
      4   0.189069D+01
      5   0.978446D+00
      6   0.330461D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:56:20 2021, MaxMem=  5368709120 cpu:            7722.0 elap:             970.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.14742 -10.24767 -10.19717 -10.19253 -10.19153
 Alpha  occ. eigenvalues --  -10.19137 -10.18990 -10.18838 -10.18780  -1.02201
 Alpha  occ. eigenvalues --   -0.85753  -0.77806  -0.74451  -0.72534  -0.64252
 Alpha  occ. eigenvalues --   -0.60658  -0.58905  -0.53455  -0.48903  -0.48094
 Alpha  occ. eigenvalues --   -0.45141  -0.44764  -0.44092  -0.42726  -0.40149
 Alpha  occ. eigenvalues --   -0.38620  -0.37227  -0.35994  -0.34887  -0.33738
 Alpha  occ. eigenvalues --   -0.29013  -0.26166  -0.25404
 Alpha virt. eigenvalues --   -0.01950  -0.01413   0.01057   0.03071   0.03740
 Alpha virt. eigenvalues --    0.05405   0.05812   0.06616   0.07489   0.08743
 Alpha virt. eigenvalues --    0.09925   0.10593   0.12113   0.12444   0.13788
 Alpha virt. eigenvalues --    0.13935   0.14204   0.15167   0.15451   0.15867
 Alpha virt. eigenvalues --    0.16921   0.17548   0.18859   0.19371   0.20333
 Alpha virt. eigenvalues --    0.20591   0.22182   0.22606   0.24089   0.24511
 Alpha virt. eigenvalues --    0.25134   0.25335   0.26332   0.26697   0.27044
 Alpha virt. eigenvalues --    0.29150   0.29535   0.29752   0.30640   0.31372
 Alpha virt. eigenvalues --    0.31718   0.32513   0.33083   0.34028   0.34533
 Alpha virt. eigenvalues --    0.34652   0.35161   0.35945   0.36248   0.37010
 Alpha virt. eigenvalues --    0.37752   0.38067   0.38816   0.39209   0.39402
 Alpha virt. eigenvalues --    0.39971   0.40466   0.41279   0.41717   0.41913
 Alpha virt. eigenvalues --    0.42147   0.42629   0.43135   0.43537   0.44091
 Alpha virt. eigenvalues --    0.45225   0.45469   0.46020   0.46812   0.47937
 Alpha virt. eigenvalues --    0.49002   0.49818   0.50619   0.51029   0.51812
 Alpha virt. eigenvalues --    0.52190   0.53366   0.53897   0.54605   0.56142
 Alpha virt. eigenvalues --    0.56794   0.57372   0.58675   0.58753   0.59206
 Alpha virt. eigenvalues --    0.60481   0.60961   0.62345   0.63261   0.63469
 Alpha virt. eigenvalues --    0.65686   0.65902   0.66996   0.67381   0.68137
 Alpha virt. eigenvalues --    0.69705   0.71129   0.72730   0.73250   0.74917
 Alpha virt. eigenvalues --    0.75435   0.76392   0.76949   0.78922   0.79944
 Alpha virt. eigenvalues --    0.81170   0.81612   0.83905   0.87119   0.88491
 Alpha virt. eigenvalues --    0.89318   0.91613   0.93588   0.94519   0.95587
 Alpha virt. eigenvalues --    0.96844   0.97775   0.98999   0.99756   1.00506
 Alpha virt. eigenvalues --    1.02303   1.04059   1.04508   1.05818   1.08440
 Alpha virt. eigenvalues --    1.09748   1.11817   1.12135   1.13141   1.14705
 Alpha virt. eigenvalues --    1.15966   1.17923   1.18701   1.19940   1.21528
 Alpha virt. eigenvalues --    1.23135   1.23396   1.25496   1.25880   1.26854
 Alpha virt. eigenvalues --    1.28171   1.31869   1.32489   1.36028   1.38664
 Alpha virt. eigenvalues --    1.39804   1.41815   1.44853   1.47150   1.50192
 Alpha virt. eigenvalues --    1.55104   1.57377   1.58925   1.59735   1.60187
 Alpha virt. eigenvalues --    1.60878   1.63151   1.64375   1.68270   1.70982
 Alpha virt. eigenvalues --    1.71471   1.72988   1.77315   1.78931   1.80479
 Alpha virt. eigenvalues --    1.81116   1.83836   1.86344   1.88352   1.88547
 Alpha virt. eigenvalues --    1.90126   1.90974   1.93192   1.96103   1.97141
 Alpha virt. eigenvalues --    1.99683   2.00347   2.01274   2.02214   2.03522
 Alpha virt. eigenvalues --    2.04575   2.06214   2.09728   2.12482   2.13967
 Alpha virt. eigenvalues --    2.16186   2.16847   2.19780   2.20544   2.22464
 Alpha virt. eigenvalues --    2.27952   2.30653   2.31333   2.34674   2.36892
 Alpha virt. eigenvalues --    2.38511   2.39934   2.41025   2.41874   2.46344
 Alpha virt. eigenvalues --    2.47155   2.49083   2.50865   2.54314   2.59570
 Alpha virt. eigenvalues --    2.60771   2.63813   2.66504   2.68947   2.74546
 Alpha virt. eigenvalues --    2.84279   2.84441   2.86126   2.87598   2.91607
 Alpha virt. eigenvalues --    2.96210   3.02060   3.02803   3.04616   3.08273
 Alpha virt. eigenvalues --    3.10844   3.12665   3.14595   3.18824   3.22144
 Alpha virt. eigenvalues --    3.23778   3.33945   3.57554   3.70775   3.94993
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.407072  -0.097890   0.115046  -0.063056  -0.004065  -0.019554
     2  C   -0.097890   5.983520   0.153429   0.039921   0.290803  -0.088052
     3  H    0.115046   0.153429   0.646909   0.003841  -0.023572  -0.059391
     4  H   -0.063056   0.039921   0.003841   1.188056   0.067807  -0.085200
     5  C   -0.004065   0.290803  -0.023572   0.067807   4.104118  -0.016110
     6  C   -0.019554  -0.088052  -0.059391  -0.085200  -0.016110   9.404941
     7  H   -0.006442   0.178922   0.003225  -0.000458   0.224012  -0.020112
     8  H   -0.015727   0.128466   0.006946   0.010196   0.246569  -0.122980
     9  H    0.035331   0.088682  -0.008711  -0.043086   0.239231   0.026241
    10  C   -0.085321  -0.512483  -0.011024   0.070449   0.030812  -0.517984
    11  C    0.026580   0.041200   0.001026  -0.001851  -0.003758   0.490915
    12  C   -0.001431   0.056844  -0.000659  -0.003639   0.001906  -0.191754
    13  C   -0.002398   0.051594   0.001084  -0.010416  -0.000456   0.486191
    14  C    0.033784  -0.436449   0.013268  -0.001650  -0.015068  -0.737747
    15  H    0.018716  -0.279081  -0.019209   0.009992  -0.006567  -1.090599
    16  H   -0.001877   0.005734  -0.000517  -0.000292   0.000565  -0.009393
    17  H   -0.000191  -0.003670   0.000041   0.000203  -0.000248   0.160370
    18  H    0.000557   0.003007  -0.000104  -0.002143   0.001009   0.067767
    19  H    0.007670  -0.248445   0.002939   0.036551   0.001429  -1.023930
               7          8          9         10         11         12
     1  O   -0.006442  -0.015727   0.035331  -0.085321   0.026580  -0.001431
     2  C    0.178922   0.128466   0.088682  -0.512483   0.041200   0.056844
     3  H    0.003225   0.006946  -0.008711  -0.011024   0.001026  -0.000659
     4  H   -0.000458   0.010196  -0.043086   0.070449  -0.001851  -0.003639
     5  C    0.224012   0.246569   0.239231   0.030812  -0.003758   0.001906
     6  C   -0.020112  -0.122980   0.026241  -0.517984   0.490915  -0.191754
     7  H    0.823817  -0.047734  -0.033138   0.002053   0.001054   0.000413
     8  H   -0.047734   1.001939  -0.047946  -0.010766  -0.000622   0.000554
     9  H   -0.033138  -0.047946   0.805066  -0.006423  -0.000392  -0.000055
    10  C    0.002053  -0.010766  -0.006423   7.852346  -0.609514   0.593845
    11  C    0.001054  -0.000622  -0.000392  -0.609514   6.774535  -0.148010
    12  C    0.000413   0.000554  -0.000055   0.593845  -0.148010   6.581596
    13  C   -0.003057   0.000346   0.000550  -0.208355   0.689886  -0.204063
    14  C   -0.007607   0.007486  -0.016238   0.066727  -0.140327   0.590915
    15  H    0.003099  -0.002550  -0.002725   0.158731  -0.482314  -0.087689
    16  H   -0.000188   0.000069   0.000015  -0.414936  -0.040743  -0.532685
    17  H   -0.000004   0.000015  -0.000001  -0.058470  -0.444940   0.159739
    18  H    0.000514  -0.000967   0.000040   0.180399  -0.097552  -0.557645
    19  H   -0.011152   0.025958  -0.003265  -0.001827   0.206912  -0.067772
              13         14         15         16         17         18
     1  O   -0.002398   0.033784   0.018716  -0.001877  -0.000191   0.000557
     2  C    0.051594  -0.436449  -0.279081   0.005734  -0.003670   0.003007
     3  H    0.001084   0.013268  -0.019209  -0.000517   0.000041  -0.000104
     4  H   -0.010416  -0.001650   0.009992  -0.000292   0.000203  -0.002143
     5  C   -0.000456  -0.015068  -0.006567   0.000565  -0.000248   0.001009
     6  C    0.486191  -0.737747  -1.090599  -0.009393   0.160370   0.067767
     7  H   -0.003057  -0.007607   0.003099  -0.000188  -0.000004   0.000514
     8  H    0.000346   0.007486  -0.002550   0.000069   0.000015  -0.000967
     9  H    0.000550  -0.016238  -0.002725   0.000015  -0.000001   0.000040
    10  C   -0.208355   0.066727   0.158731  -0.414936  -0.058470   0.180399
    11  C    0.689886  -0.140327  -0.482314  -0.040743  -0.444940  -0.097552
    12  C   -0.204063   0.590915  -0.087689  -0.532685   0.159739  -0.557645
    13  C    7.016201  -0.764929   0.182903  -0.071662  -0.450736   0.025792
    14  C   -0.764929   7.767496   0.058890   0.160183  -0.023390  -0.430741
    15  H    0.182903   0.058890   2.597113  -0.630331   0.064330  -0.021360
    16  H   -0.071662   0.160183  -0.630331   2.688794  -0.618501   0.071853
    17  H   -0.450736  -0.023390   0.064330  -0.618501   2.535507  -0.594221
    18  H    0.025792  -0.430741  -0.021360   0.071853  -0.594221   2.620279
    19  H   -0.512040   0.407575   0.052410  -0.021986   0.065095  -0.573979
              19
     1  O    0.007670
     2  C   -0.248445
     3  H    0.002939
     4  H    0.036551
     5  C    0.001429
     6  C   -1.023930
     7  H   -0.011152
     8  H    0.025958
     9  H   -0.003265
    10  C   -0.001827
    11  C    0.206912
    12  C   -0.067772
    13  C   -0.512040
    14  C    0.407575
    15  H    0.052410
    16  H   -0.021986
    17  H    0.065095
    18  H   -0.573979
    19  H    2.482883
 Mulliken charges:
               1
     1  O   -0.346804
     2  C    0.643947
     3  H    0.175433
     4  H   -0.215224
     5  C    0.861582
     6  C   -0.653618
     7  H   -0.107217
     8  H   -0.179249
     9  H   -0.033175
    10  C   -0.518256
    11  C   -0.262083
    12  C   -0.190409
    13  C   -0.226434
    14  C   -0.532175
    15  H    0.476241
    16  H    0.415898
    17  H    0.209074
    18  H    0.307496
    19  H    0.174973
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.171371
     2  C    0.428723
     5  C    0.541941
     6  C   -0.653618
    10  C   -0.042015
    11  C    0.153815
    12  C    0.018665
    13  C    0.081062
    14  C   -0.357202
 Electronic spatial extent (au):  <R**2>=           1278.1267
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.3391    Y=             -0.9153    Z=              1.2277  Tot=              1.5684
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -53.8775   YY=            -51.6858   ZZ=            -57.0005
   XY=              2.1615   XZ=             -2.7599   YZ=              3.9206
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.3105   YY=              2.5022   ZZ=             -2.8126
   XY=              2.1615   XZ=             -2.7599   YZ=              3.9206
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              8.2952  YYY=              4.6016  ZZZ=             -1.5309  XYY=              0.6133
  XXY=             -4.4258  XXZ=              9.8245  XZZ=             -9.9939  YZZ=              1.4543
  YYZ=              3.3292  XYZ=             -5.4057
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1171.7351 YYYY=           -401.4593 ZZZZ=           -122.5116 XXXY=              4.3446
 XXXZ=            -10.4134 YYYX=            -12.4615 YYYZ=             12.8827 ZZZX=              2.5147
 ZZZY=              0.2893 XXYY=           -261.1962 XXZZ=           -229.2992 YYZZ=            -96.3600
 XXYZ=             20.8851 YYXZ=             -7.4374 ZZXY=             -3.1995
 N-N= 4.253275811192D+02 E-N=-1.745640891877D+03  KE= 3.816003649865D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:56:21 2021, MaxMem=  5368709120 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.04765525D-01-3.25934540D-01 4.80616367D-01
 Polarizability= 1.19505687D+02 1.75631899D+00 9.99481783D+01
                 2.10175880D+00 5.58916901D+00 6.41850941D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.0520   -1.0519        0.7808    0.7824
 2      1.0520    1.0519       -2.7456   -2.7456      -11.1676  -11.1653
 3     -0.7808   -0.7824       29.7082   29.7088        2.7491    2.7456
 4      2.7456    2.7456       -0.0000    0.0000       -0.7837   -0.7824
 5    -18.5406  -18.5435        0.7837    0.7824       -1.0499   -1.0519
 6     -2.7491   -2.7456        1.0499    1.0519       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.1558    3.1558        2.3473    2.3473
 2      8.2368    8.2368       -0.0000    0.0000        2.3473    2.3473
 3      8.2368    8.2368        3.1558    3.1558        0.0000    0.0000
 4      3.1558    3.1558       -8.2368   -8.2368      -33.4959  -33.4959
 5     -2.3473   -2.3473       89.1263   89.1263        8.2368    8.2368
 6    -55.6304  -55.6304        2.3473    2.3473       -3.1558   -3.1558
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0332    0.0000        4.1612    4.2078       -3.0912   -3.1298
 2     -4.2715   -4.2078       10.9161   10.9823       44.6764   44.6612
 3      2.9725    3.1298     -118.6712 -118.8351      -10.9204  -10.9823
 4    -10.9772  -10.9823       -0.0061    0.0000        3.1635    3.1298
 5     74.1764   74.1739       -2.9939   -3.1298        4.1891    4.2078
 6     10.9226   10.9823       -4.4338   -4.2078        0.0648    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1764    0.0000        0.9178    0.8217      -10.7745  -10.7121
 2     -0.9106   -0.8217      -42.7041  -42.8492      -19.8602  -19.9870
 3     10.9477   10.7121      -16.3416  -16.3718       42.6705   42.8492
 4     42.8378   42.8492        0.0592    0.0000       10.7697   10.7121
 5     36.1777   36.3588      -11.0355  -10.7121        0.8169    0.8217
 6    -43.0105  -42.8492       -0.9984   -0.8217        0.0054    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     13.2707   13.4872       12.3473   12.4378       18.1400   18.0537
 2     80.8603   80.8827        3.2896    3.1823       18.1777   18.0537
 3     80.8312   80.8827       12.5151   12.4378       21.6086   21.4776
 4      9.2231    9.2554      -67.2714  -67.3955      -22.9055  -22.8889
 5      3.4628    3.4239      -32.0238  -32.0559       67.3671   67.3955
 6     54.9146   54.9449       -3.7117   -3.4239       -9.1203   -9.2554
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.1307   -1.9003   -0.0007   -0.0005    0.0003    5.0110
 Low frequencies ---   31.1155  139.5620  220.3087
 Diagonal vibrational polarizability:
       50.2402029      12.9840523      23.9614559
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     31.0917               139.5619               220.3086
 Red. masses --      3.3798                 3.4142                 2.7288
 Frc consts  --      0.0019                 0.0392                 0.0780
 IR Inten    --      1.0137                 2.0383                 0.5945
 RamAct Fr= 1--      2.6114                 4.4566                 0.1733
  Dep-P Fr= 1--      0.7497                 0.7267                 0.5311
  Dep-U Fr= 1--      0.8570                 0.8417                 0.6937
 Alpha2 Fr= 1--      0.0000                 0.0018                 0.0007
 Beta2  Fr= 1--      0.3730                 0.6252                 0.0200
 AlphaG Fr= 1--      0.0002                 0.0008                -0.0017
 Gamma2 Fr= 1--     -0.7736                -0.1276                 0.0563
 Delta2 Fr= 1--     -0.3192                -0.0594                 0.0637
 Raman1 Fr= 1--      10.445                 17.826                  0.693
 ROA1   Fr= 1--     -84.480                -14.153                  7.444
 CID1   Fr= 1--      -8.088                 -0.794                 10.737
 Raman2 Fr= 1--       4.476                  7.502                  0.240
 ROA2   Fr= 1--     -16.012                 -2.588                  0.841
 CID2   Fr= 1--      -3.578                 -0.345                  3.497
 Raman3 Fr= 1--       8.951                 15.004                  0.481
 ROA3   Fr= 1--     -84.480                -14.153                  7.444
 CID3   Fr= 1--      -9.438                 -0.943                 15.477
 RC180  Fr= 1--       0.714                  0.683                  0.387
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.05   0.21    -0.06  -0.00   0.08     0.18   0.07   0.05
     2   6    -0.00   0.04  -0.02    -0.02   0.02  -0.04    -0.02  -0.03  -0.00
     3   1     0.11  -0.06   0.25     0.16   0.02   0.08     0.24   0.03   0.07
     4   1     0.01   0.24  -0.10    -0.17   0.02  -0.01    -0.13   0.01   0.00
     5   6    -0.04  -0.14  -0.20     0.21  -0.00   0.09    -0.10   0.07   0.03
     6   6     0.00   0.01   0.01    -0.01   0.04  -0.20    -0.01  -0.14  -0.05
     7   1    -0.04  -0.34  -0.12     0.46  -0.03   0.05     0.23  -0.10   0.04
     8   1    -0.08  -0.15  -0.39     0.19  -0.01  -0.04    -0.44  -0.07  -0.17
     9   1    -0.04  -0.07  -0.23     0.17   0.02   0.34    -0.15   0.45   0.23
    10   6     0.03   0.04  -0.14    -0.00   0.03  -0.17    -0.09  -0.09  -0.04
    11   6     0.03   0.03  -0.15    -0.02  -0.02   0.03    -0.11   0.03   0.01
    12   6     0.01   0.01  -0.01    -0.06  -0.06   0.20    -0.03   0.09   0.03
    13   6    -0.02  -0.02   0.14    -0.05  -0.03   0.07     0.08   0.04  -0.01
    14   6    -0.02  -0.02   0.15    -0.02   0.02  -0.14     0.07  -0.08  -0.05
    15   1     0.04   0.05  -0.25     0.02   0.05  -0.24    -0.16  -0.14  -0.08
    16   1     0.04   0.05  -0.27    -0.02  -0.03   0.10    -0.20   0.07   0.03
    17   1     0.01   0.00  -0.01    -0.08  -0.10   0.41    -0.03   0.16   0.07
    18   1    -0.03  -0.04   0.25    -0.07  -0.05   0.17     0.16   0.09   0.00
    19   1    -0.03  -0.04   0.26    -0.03   0.04  -0.20     0.16  -0.13  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    255.6224               287.8783               325.9364
 Red. masses --      1.2689                 1.0418                 3.3800
 Frc consts  --      0.0488                 0.0509                 0.2116
 IR Inten    --      4.7238               123.4820                 0.4163
 RamAct Fr= 1--      0.1900                 0.3109                 2.1195
  Dep-P Fr= 1--      0.7064                 0.7426                 0.1140
  Dep-U Fr= 1--      0.8279                 0.8523                 0.2047
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0359
 Beta2  Fr= 1--      0.0262                 0.0442                 0.0723
 AlphaG Fr= 1--     -0.0010                 0.0007                 0.0016
 Gamma2 Fr= 1--     -0.0551                -0.0368                -0.1830
 Delta2 Fr= 1--     -0.1416                 0.0859                 0.0230
 Raman1 Fr= 1--       0.760                  1.244                  8.478
 ROA1   Fr= 1--      -9.825                 -0.789                -16.834
 CID1   Fr= 1--     -12.927                 -0.635                 -1.986
 Raman2 Fr= 1--       0.315                  0.530                  0.868
 ROA2   Fr= 1--      -0.191                 -1.571                 -4.577
 CID2   Fr= 1--      -0.606                 -2.965                 -5.275
 Raman3 Fr= 1--       0.629                  1.060                  1.735
 ROA3   Fr= 1--      -9.825                 -0.789                -16.834
 CID3   Fr= 1--     -15.614                 -0.745                 -9.700
 RC180  Fr= 1--       0.656                  0.705                 -0.591
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.04  -0.02  -0.06    -0.02  -0.02  -0.00     0.15   0.09  -0.03
     2   6     0.00   0.00  -0.01    -0.01  -0.01   0.01     0.03   0.04  -0.08
     3   1     0.10   0.11  -0.10     0.87   0.43  -0.13     0.12   0.03  -0.01
     4   1     0.03  -0.02  -0.00    -0.01   0.01   0.01    -0.01   0.08  -0.09
     5   6     0.04  -0.03  -0.00    -0.02  -0.03  -0.00     0.25  -0.02  -0.03
     6   6    -0.01   0.03   0.03    -0.01   0.00   0.00    -0.03  -0.03  -0.00
     7   1     0.50  -0.35   0.04    -0.13   0.02  -0.00     0.22   0.09  -0.07
     8   1    -0.31  -0.16  -0.41     0.06   0.00   0.06     0.54   0.10   0.02
     9   1    -0.03   0.38   0.32     0.00  -0.10  -0.08     0.25  -0.35   0.07
    10   6     0.01   0.02   0.05     0.00   0.00  -0.00    -0.11  -0.03   0.10
    11   6     0.02  -0.00   0.01    -0.00   0.00   0.01    -0.12   0.00   0.03
    12   6     0.01  -0.01  -0.04     0.00   0.00   0.00    -0.11   0.03  -0.13
    13   6    -0.02  -0.00   0.00    -0.00   0.01  -0.02    -0.08  -0.02   0.03
    14   6    -0.03   0.02   0.05    -0.00   0.01   0.00    -0.08  -0.07   0.11
    15   1     0.04   0.04   0.07     0.04   0.03  -0.03    -0.15  -0.07   0.14
    16   1     0.04  -0.01   0.00    -0.00   0.00   0.02    -0.12  -0.00   0.04
    17   1     0.01  -0.02  -0.10     0.00   0.00  -0.00    -0.09   0.07  -0.28
    18   1    -0.04  -0.01  -0.01    -0.00   0.01  -0.04    -0.05  -0.01   0.06
    19   1    -0.05   0.03   0.07    -0.00   0.01   0.01    -0.09  -0.08   0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    397.2469               414.6626               467.3430
 Red. masses --      4.5432                 2.9593                 2.9733
 Frc consts  --      0.4224                 0.2998                 0.3826
 IR Inten    --      7.5308                 1.3417                 2.8514
 RamAct Fr= 1--      1.6435                 0.0066                 2.4478
  Dep-P Fr= 1--      0.5250                 0.7433                 0.1420
  Dep-U Fr= 1--      0.6886                 0.8527                 0.2487
 Alpha2 Fr= 1--      0.0072                 0.0000                 0.0386
 Beta2  Fr= 1--      0.1886                 0.0009                 0.1015
 AlphaG Fr= 1--     -0.0108                -0.0002                 0.0200
 Gamma2 Fr= 1--      0.3857                -0.0847                 0.1901
 Delta2 Fr= 1--      0.0473                -0.0201                -0.0978
 Raman1 Fr= 1--       6.574                  0.027                  9.791
 ROA1   Fr= 1--      38.544                 -8.777                 15.121
 CID1   Fr= 1--       5.863               -331.085                  1.544
 Raman2 Fr= 1--       2.263                  0.011                  1.217
 ROA2   Fr= 1--       8.879                 -1.873                  5.345
 CID2   Fr= 1--       3.923               -165.738                  4.390
 Raman3 Fr= 1--       4.527                  0.023                  2.435
 ROA3   Fr= 1--      38.544                 -8.777                 15.121
 CID3   Fr= 1--       8.515               -388.269                  6.210
 RC180  Fr= 1--       0.377                  0.705                 -0.503
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.28  -0.01  -0.09    -0.01  -0.00   0.01    -0.07   0.19  -0.11
     2   6     0.08  -0.07   0.16    -0.00   0.00  -0.01    -0.13   0.11   0.10
     3   1    -0.06   0.02  -0.11     0.13   0.05  -0.01    -0.24   0.33  -0.16
     4   1     0.17  -0.16   0.17    -0.01   0.00  -0.01    -0.14   0.09   0.12
     5   6    -0.04  -0.17   0.05    -0.01   0.01  -0.00     0.02  -0.12   0.04
     6   6    -0.01   0.07   0.14     0.00  -0.01  -0.02    -0.05  -0.08   0.07
     7   1    -0.14  -0.36   0.15    -0.00   0.02  -0.01     0.01  -0.35   0.13
     8   1    -0.04  -0.17  -0.11    -0.00   0.01   0.01     0.31   0.01  -0.28
     9   1    -0.02  -0.15  -0.08    -0.01   0.02   0.00     0.03  -0.41   0.11
    10   6    -0.01   0.13  -0.05    -0.03  -0.05   0.22     0.01  -0.10  -0.03
    11   6    -0.01   0.06  -0.09     0.02   0.03  -0.19     0.01  -0.03  -0.05
    12   6    -0.13  -0.04   0.12     0.01   0.01  -0.01     0.07   0.01   0.07
    13   6    -0.13   0.00  -0.06    -0.02  -0.03   0.21     0.08   0.03  -0.02
    14   6    -0.10   0.08  -0.11     0.03   0.03  -0.20     0.06  -0.04  -0.02
    15   1     0.00   0.14  -0.15    -0.05  -0.08   0.45     0.01  -0.09  -0.08
    16   1     0.09   0.03  -0.21     0.04   0.08  -0.43    -0.06   0.02  -0.12
    17   1    -0.14  -0.12   0.25     0.01   0.02  -0.04     0.07   0.04   0.13
    18   1    -0.14   0.00  -0.14    -0.04  -0.07   0.45     0.10   0.04  -0.09
    19   1    -0.18   0.17  -0.28     0.06   0.07  -0.42     0.16  -0.07  -0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    529.4549               613.8005               638.1778
 Red. masses --      3.4072                 3.2970                 6.3662
 Frc consts  --      0.5627                 0.7318                 1.5276
 IR Inten    --     20.8339                 7.1382                 0.0719
 RamAct Fr= 1--      1.9747                 1.1518                 4.1588
  Dep-P Fr= 1--      0.2737                 0.7138                 0.7492
  Dep-U Fr= 1--      0.4298                 0.8330                 0.8566
 Alpha2 Fr= 1--      0.0219                 0.0007                 0.0001
 Beta2  Fr= 1--      0.1414                 0.1599                 0.5938
 AlphaG Fr= 1--     -0.0119                -0.0025                 0.0008
 Gamma2 Fr= 1--     -0.4061                -0.0022                 0.1278
 Delta2 Fr= 1--     -0.2289                 0.0666                -0.0003
 Raman1 Fr= 1--       7.899                  4.607                 16.635
 ROA1   Fr= 1--     -46.306                  1.920                 12.255
 CID1   Fr= 1--      -5.862                  0.417                  0.737
 Raman2 Fr= 1--       1.697                  1.919                  7.125
 ROA2   Fr= 1--      -7.915                 -0.585                  3.069
 CID2   Fr= 1--      -4.663                 -0.305                  0.431
 Raman3 Fr= 1--       3.395                  3.838                 14.250
 ROA3   Fr= 1--     -46.306                  1.920                 12.255
 CID3   Fr= 1--     -13.641                  0.500                  0.860
 RC180  Fr= 1--      -0.140                  0.666                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.11  -0.04   0.03    -0.09   0.01  -0.03    -0.00   0.03   0.00
     2   6     0.11   0.06  -0.03     0.16   0.10   0.19     0.01   0.00   0.02
     3   1     0.08   0.01   0.02    -0.14   0.26  -0.12     0.03   0.05  -0.01
     4   1     0.28   0.13  -0.09     0.16   0.03   0.22     0.01   0.00   0.02
     5   6     0.10   0.14  -0.09     0.01   0.01  -0.00    -0.01   0.00   0.00
     6   6     0.04  -0.08   0.25     0.16  -0.01  -0.07    -0.00   0.14   0.02
     7   1     0.17   0.21  -0.13    -0.26  -0.26   0.15    -0.02  -0.03   0.02
     8   1     0.04   0.11  -0.02    -0.08  -0.02  -0.17    -0.01   0.00  -0.03
     9   1     0.09   0.22  -0.05     0.06   0.12  -0.34    -0.00   0.01  -0.02
    10   6    -0.04  -0.02   0.02     0.00   0.04  -0.05    -0.25   0.20   0.00
    11   6    -0.05   0.04  -0.12    -0.05   0.07   0.08    -0.24  -0.24  -0.06
    12   6    -0.10  -0.02   0.15    -0.14   0.03  -0.11     0.00  -0.14  -0.03
    13   6     0.02  -0.03  -0.12    -0.00  -0.10   0.05     0.26  -0.23  -0.00
    14   6     0.01  -0.09   0.01     0.03  -0.14  -0.08     0.23   0.21   0.05
    15   1    -0.10  -0.04  -0.25    -0.16  -0.07   0.07    -0.10   0.29   0.04
    16   1    -0.00   0.07  -0.40    -0.00  -0.01   0.30    -0.09  -0.33  -0.04
    17   1    -0.11   0.01   0.20    -0.15   0.04  -0.05    -0.02   0.29   0.04
    18   1     0.12   0.07  -0.38     0.12  -0.05   0.30     0.13  -0.32  -0.01
    19   1     0.01  -0.03  -0.26    -0.07  -0.13   0.08     0.07   0.29   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    714.0793               755.9441               781.3334
 Red. masses --      1.7922                 2.8187                 2.1314
 Frc consts  --      0.5384                 0.9490                 0.7666
 IR Inten    --     39.6210                17.1668                17.2825
 RamAct Fr= 1--      0.0576                 9.7535                 4.9071
  Dep-P Fr= 1--      0.0620                 0.0455                 0.1725
  Dep-U Fr= 1--      0.1167                 0.0871                 0.2942
 Alpha2 Fr= 1--      0.0011                 0.1947                 0.0716
 Beta2  Fr= 1--      0.0011                 0.1416                 0.2406
 AlphaG Fr= 1--      0.0035                -0.0424                 0.0075
 Gamma2 Fr= 1--      0.0397                 1.2043                 0.8991
 Delta2 Fr= 1--     -0.0031                 0.2919                -0.0014
 Raman1 Fr= 1--       0.230                 39.014                 19.629
 ROA1   Fr= 1--       3.716                124.955                 86.272
 CID1   Fr= 1--      16.139                  3.203                  4.395
 Raman2 Fr= 1--       0.013                  1.699                  2.888
 ROA2   Fr= 1--       0.978                 26.568                 21.590
 CID2   Fr= 1--      72.795                 15.640                  7.476
 Raman3 Fr= 1--       0.027                  3.398                  5.776
 ROA3   Fr= 1--       3.716                124.955                 86.272
 CID3   Fr= 1--     138.319                 36.778                 14.937
 RC180  Fr= 1--      -0.767                 -0.826                 -0.412
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.01  -0.06   0.01    -0.00   0.04  -0.00
     2   6     0.00   0.00   0.00     0.08   0.03   0.09    -0.09  -0.04  -0.09
     3   1     0.01   0.02  -0.01    -0.02   0.05  -0.04     0.07  -0.07   0.04
     4   1    -0.04  -0.01   0.02     0.19   0.00   0.07     0.04   0.08  -0.16
     5   6    -0.00  -0.00   0.00     0.07   0.08  -0.06    -0.04  -0.04   0.01
     6   6     0.02   0.02  -0.10    -0.10  -0.03   0.12     0.02  -0.03   0.18
     7   1    -0.03  -0.02   0.01    -0.02  -0.01  -0.01     0.21   0.16  -0.12
     8   1    -0.02  -0.01   0.00     0.03   0.07  -0.12     0.06   0.00   0.14
     9   1     0.00   0.01  -0.03     0.09   0.14  -0.19    -0.09  -0.16   0.33
    10   6    -0.01  -0.00   0.08    -0.03  -0.11  -0.10     0.03   0.08  -0.04
    11   6     0.02   0.03  -0.14    -0.06  -0.13  -0.02     0.04   0.08   0.02
    12   6    -0.02  -0.01   0.07     0.13   0.03  -0.08    -0.05   0.01  -0.11
    13   6     0.02   0.02  -0.14    -0.06   0.11   0.03     0.03  -0.07  -0.00
    14   6    -0.01  -0.02   0.07    -0.04   0.11  -0.07     0.04  -0.04  -0.08
    15   1    -0.05  -0.06   0.49     0.02  -0.10   0.09    -0.01   0.05  -0.01
    16   1    -0.01  -0.03   0.19    -0.28  -0.12   0.41     0.10  -0.04   0.42
    17   1    -0.08  -0.10   0.56     0.07  -0.05   0.42    -0.11  -0.10   0.44
    18   1    -0.01  -0.04   0.20    -0.24  -0.05   0.42     0.07  -0.10   0.42
    19   1    -0.06  -0.10   0.50     0.03   0.03   0.11    -0.02  -0.03   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    856.9221               913.0837               922.4709
 Red. masses --      1.2493                 2.2620                 1.3763
 Frc consts  --      0.5405                 1.1111                 0.6901
 IR Inten    --      0.1375                 9.6157                 1.7389
 RamAct Fr= 1--      1.0498                 2.3781                 1.2142
  Dep-P Fr= 1--      0.7373                 0.6828                 0.3285
  Dep-U Fr= 1--      0.8488                 0.8115                 0.4945
 Alpha2 Fr= 1--      0.0002                 0.0028                 0.0114
 Beta2  Fr= 1--      0.1485                 0.3216                 0.1001
 AlphaG Fr= 1--      0.0001                -0.0175                -0.0117
 Gamma2 Fr= 1--     -0.1332                -2.4167                -0.9001
 Delta2 Fr= 1--     -0.0115                -1.6687                 0.1855
 Raman1 Fr= 1--       4.199                  9.512                  4.857
 ROA1   Fr= 1--     -13.155               -285.403                -80.474
 CID1   Fr= 1--      -3.133                -30.003                -16.569
 Raman2 Fr= 1--       1.782                  3.860                  1.201
 ROA2   Fr= 1--      -3.104                -44.651                -23.087
 CID2   Fr= 1--      -1.742                -11.569                -19.225
 Raman3 Fr= 1--       3.564                  7.719                  2.402
 ROA3   Fr= 1--     -13.155               -285.403                -80.474
 CID3   Fr= 1--      -3.691                -36.974                -33.507
 RC180  Fr= 1--       0.698                  0.623                 -0.011
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00     0.07  -0.14   0.01    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.16   0.02   0.07     0.01   0.00  -0.01
     3   1    -0.02  -0.00   0.00     0.03  -0.07  -0.02    -0.01  -0.03   0.01
     4   1     0.01   0.00  -0.00    -0.26  -0.19   0.17    -0.10  -0.07   0.04
     5   6     0.00  -0.00   0.00     0.00   0.18  -0.07     0.01   0.00   0.02
     6   6     0.00  -0.00   0.01    -0.04  -0.01  -0.00     0.01   0.01  -0.06
     7   1    -0.00   0.00  -0.00     0.03  -0.22   0.07    -0.09  -0.08   0.07
     8   1    -0.01  -0.01   0.01     0.38   0.35  -0.59    -0.03  -0.01  -0.04
     9   1     0.00   0.00  -0.01     0.02  -0.22  -0.04     0.03   0.04  -0.11
    10   6    -0.01  -0.01   0.07     0.01   0.04   0.01    -0.02  -0.01   0.09
    11   6    -0.01  -0.01   0.07     0.04   0.06   0.02     0.00  -0.00   0.01
    12   6     0.00  -0.00   0.01    -0.03  -0.01  -0.00     0.02   0.02  -0.10
    13   6     0.01   0.02  -0.07     0.04  -0.05  -0.01     0.00   0.00  -0.01
    14   6     0.01   0.02  -0.08     0.01  -0.01  -0.00    -0.01  -0.02   0.09
    15   1     0.04   0.06  -0.47     0.02   0.05   0.02     0.04   0.06  -0.52
    16   1     0.06   0.08  -0.49     0.12   0.03  -0.02     0.01   0.01  -0.06
    17   1     0.01   0.00  -0.04    -0.02  -0.01  -0.02    -0.06  -0.11   0.60
    18   1    -0.06  -0.09   0.46     0.08  -0.03   0.04    -0.01  -0.01   0.04
    19   1    -0.05  -0.10   0.52     0.03  -0.03   0.02     0.05   0.10  -0.49
                     19                     20                     21
                      A                      A                      A
 Frequencies --    961.3666               978.6806              1024.9496
 Red. masses --      1.3481                 1.2415                 6.0437
 Frc consts  --      0.7341                 0.7006                 3.7408
 IR Inten    --      0.1607                 0.2299                 0.3631
 RamAct Fr= 1--      0.1114                 0.2060                49.1810
  Dep-P Fr= 1--      0.2466                 0.1490                 0.0604
  Dep-U Fr= 1--      0.3957                 0.2594                 0.1138
 Alpha2 Fr= 1--      0.0013                 0.0032                 0.9478
 Beta2  Fr= 1--      0.0073                 0.0089                 0.9332
 AlphaG Fr= 1--      0.0054                 0.0069                 0.0062
 Gamma2 Fr= 1--      0.2888                 0.0301                 0.0477
 Delta2 Fr= 1--     -0.0416                 0.0071                 0.0550
 Raman1 Fr= 1--       0.446                  0.824                196.724
 ROA1   Fr= 1--      26.398                  3.117                  6.335
 CID1   Fr= 1--      59.249                  3.783                  0.032
 Raman2 Fr= 1--       0.088                  0.107                 11.198
 ROA2   Fr= 1--       7.265                  0.666                  0.704
 CID2   Fr= 1--      82.425                  6.232                  0.063
 Raman3 Fr= 1--       0.176                  0.214                 22.396
 ROA3   Fr= 1--      26.398                  3.117                  6.335
 CID3   Fr= 1--     149.743                 14.581                  0.283
 RC180  Fr= 1--      -0.209                 -0.481                 -0.772
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.02   0.01
     3   1     0.01   0.01  -0.00     0.00  -0.02   0.01     0.03  -0.01   0.01
     4   1     0.02   0.01  -0.01    -0.02  -0.02   0.01    -0.05  -0.04   0.02
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.01     0.03   0.01  -0.01
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.01
     7   1     0.01   0.01  -0.01    -0.02  -0.03   0.02    -0.03  -0.00   0.00
     8   1     0.00  -0.00   0.02    -0.00   0.00  -0.02    -0.03  -0.02   0.01
     9   1    -0.01   0.00   0.02     0.01   0.00  -0.02     0.03   0.05  -0.08
    10   6     0.01   0.01  -0.08    -0.01  -0.00   0.05    -0.21   0.34   0.02
    11   6    -0.01  -0.02   0.07     0.01   0.02  -0.09    -0.01  -0.04   0.00
    12   6    -0.01  -0.00   0.02    -0.00  -0.01   0.08     0.37   0.02   0.05
    13   6     0.01   0.02  -0.10     0.01   0.01  -0.06    -0.02   0.04   0.01
    14   6    -0.01  -0.01   0.09    -0.00  -0.01   0.02    -0.16  -0.35  -0.08
    15   1    -0.02  -0.05   0.43     0.02   0.05  -0.39    -0.14   0.39   0.14
    16   1     0.03   0.06  -0.37    -0.06  -0.10   0.58     0.04  -0.04  -0.05
    17   1     0.01   0.03  -0.11     0.07   0.08  -0.50     0.38   0.00   0.06
    18   1    -0.06  -0.10   0.59    -0.05  -0.08   0.40     0.02   0.04   0.01
    19   1     0.05   0.10  -0.50     0.02   0.04  -0.21    -0.08  -0.41  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1030.6125              1052.8848              1068.1301
 Red. masses --      1.9719                 2.1783                 1.6872
 Frc consts  --      1.2340                 1.4227                 1.1341
 IR Inten    --     32.1969                24.2766                11.4777
 RamAct Fr= 1--      4.3355                19.7307                 6.0078
  Dep-P Fr= 1--      0.3842                 0.0602                 0.3668
  Dep-U Fr= 1--      0.5552                 0.1136                 0.5368
 Alpha2 Fr= 1--      0.0339                 0.3803                 0.0499
 Beta2  Fr= 1--      0.4012                 0.3736                 0.5375
 AlphaG Fr= 1--      0.0139                 0.0031                -0.0399
 Gamma2 Fr= 1--      0.8561                -0.8095                -0.1551
 Delta2 Fr= 1--      1.1634                -0.6384                 0.6342
 Raman1 Fr= 1--      17.342                 78.923                 24.031
 ROA1   Fr= 1--     119.416                -98.143                  5.404
 CID1   Fr= 1--       6.886                 -1.244                  0.225
 Raman2 Fr= 1--       4.814                  4.483                  6.450
 ROA2   Fr= 1--      11.239                -14.322                 -8.796
 CID2   Fr= 1--       2.335                 -3.195                 -1.364
 Raman3 Fr= 1--       9.628                  8.966                 12.899
 ROA3   Fr= 1--     119.416                -98.143                  5.404
 CID3   Fr= 1--      12.403                -10.946                  0.419
 RC180  Fr= 1--       0.110                 -0.773                  0.074
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04  -0.11   0.00    -0.03   0.03  -0.00     0.02  -0.01   0.01
     2   6     0.04   0.17   0.02     0.02  -0.03  -0.07    -0.07  -0.06   0.13
     3   1    -0.08   0.12  -0.09     0.13  -0.25   0.11    -0.24   0.42  -0.16
     4   1     0.32   0.37  -0.13    -0.01  -0.18   0.01    -0.14   0.16   0.06
     5   6    -0.13  -0.03  -0.00    -0.02   0.03   0.05     0.06  -0.03  -0.12
     6   6     0.07   0.03  -0.06     0.05  -0.01   0.03    -0.04  -0.01  -0.03
     7   1     0.27   0.08  -0.11    -0.09  -0.22   0.16     0.16   0.39  -0.30
     8   1     0.21   0.11   0.05     0.08   0.08  -0.20    -0.10  -0.10   0.28
     9   1    -0.20  -0.34   0.53     0.00  -0.12  -0.04     0.02   0.24   0.01
    10   6     0.00  -0.01   0.02     0.04   0.06   0.01     0.01   0.04   0.02
    11   6    -0.04  -0.07  -0.02    -0.02  -0.17  -0.03     0.02  -0.04  -0.01
    12   6     0.01   0.02  -0.00    -0.12  -0.01  -0.02    -0.06  -0.01  -0.01
    13   6    -0.02   0.04   0.01    -0.05   0.18   0.03     0.01   0.06   0.01
    14   6    -0.02  -0.03   0.01     0.05  -0.04  -0.01     0.03  -0.02   0.01
    15   1     0.04   0.03  -0.11     0.26   0.20   0.08     0.15   0.13  -0.05
    16   1    -0.07  -0.05  -0.01     0.26  -0.33  -0.02     0.21  -0.14   0.01
    17   1     0.00   0.09   0.05    -0.13  -0.05  -0.03    -0.07  -0.06  -0.02
    18   1     0.02   0.07  -0.01     0.20   0.35   0.09     0.15   0.15   0.05
    19   1    -0.03  -0.01  -0.06     0.32  -0.18   0.03     0.20  -0.09  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1096.7204              1126.5183              1185.0647
 Red. masses --      1.8986                 2.1074                 1.1172
 Frc consts  --      1.3455                 1.5757                 0.9244
 IR Inten    --     27.8142                29.7377                 0.2513
 RamAct Fr= 1--      5.4676                 6.0860                 4.0158
  Dep-P Fr= 1--      0.2125                 0.1405                 0.7496
  Dep-U Fr= 1--      0.3505                 0.2463                 0.8569
 Alpha2 Fr= 1--      0.0718                 0.0964                 0.0000
 Beta2  Fr= 1--      0.3194                 0.2498                 0.5735
 AlphaG Fr= 1--      0.0116                -0.0015                -0.0003
 Gamma2 Fr= 1--      0.6647                -0.9980                 0.0517
 Delta2 Fr= 1--      0.3726                -0.3046                 0.1260
 Raman1 Fr= 1--      21.870                 24.344                 16.063
 ROA1   Fr= 1--      75.734               -105.557                  8.993
 CID1   Fr= 1--       3.463                 -4.336                  0.560
 Raman2 Fr= 1--       3.833                  2.998                  6.882
 ROA2   Fr= 1--      12.972                -21.515                  0.232
 CID2   Fr= 1--       3.385                 -7.176                  0.034
 Raman3 Fr= 1--       7.665                  5.996                 13.764
 ROA3   Fr= 1--      75.734               -105.557                  8.993
 CID3   Fr= 1--       9.880                -17.604                  0.653
 RC180  Fr= 1--      -0.299                 -0.507                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04  -0.06  -0.00     0.04  -0.09  -0.00    -0.00   0.00  -0.00
     2   6    -0.05   0.12  -0.06    -0.03   0.19  -0.08     0.00  -0.00   0.00
     3   1    -0.03  -0.05  -0.01    -0.05   0.06  -0.07     0.01  -0.01   0.01
     4   1    -0.12   0.08  -0.03    -0.12   0.27  -0.10     0.02  -0.02   0.00
     5   6     0.06  -0.04   0.05     0.04  -0.05   0.08    -0.00  -0.00  -0.00
     6   6    -0.08   0.05   0.03    -0.07  -0.03   0.03    -0.01   0.00  -0.00
     7   1    -0.20  -0.03   0.09    -0.24  -0.07   0.14     0.01   0.01  -0.01
     8   1    -0.20  -0.14   0.10    -0.19  -0.14   0.09     0.00   0.00   0.00
     9   1     0.08   0.19  -0.21     0.06   0.16  -0.17    -0.00   0.00   0.00
    10   6     0.09  -0.03   0.00    -0.09   0.02  -0.02    -0.01  -0.01  -0.00
    11   6    -0.02  -0.05  -0.01     0.06   0.05   0.02     0.05  -0.02   0.00
    12   6    -0.03   0.07   0.01    -0.01  -0.06  -0.01    -0.01   0.07   0.01
    13   6     0.08  -0.06  -0.00    -0.02   0.03   0.00    -0.04  -0.02  -0.01
    14   6    -0.07  -0.06  -0.03     0.08   0.02   0.01     0.01  -0.01  -0.00
    15   1     0.46   0.20   0.07    -0.31  -0.11   0.01    -0.15  -0.10  -0.02
    16   1    -0.12  -0.01   0.01     0.27  -0.06   0.02     0.45  -0.23   0.01
    17   1    -0.05   0.47   0.07     0.01  -0.41  -0.08    -0.04   0.65   0.11
    18   1     0.33   0.09   0.06    -0.09  -0.02  -0.00    -0.39  -0.24  -0.09
    19   1    -0.25   0.01   0.00     0.43  -0.16   0.03     0.17  -0.09  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1206.0194              1218.8630              1284.3630
 Red. masses --      1.1768                 2.0955                 1.6500
 Frc consts  --      1.0085                 1.8342                 1.6036
 IR Inten    --      2.9172                19.5853                 8.9940
 RamAct Fr= 1--      7.5889                11.0927                 7.0782
  Dep-P Fr= 1--      0.2755                 0.1089                 0.0699
  Dep-U Fr= 1--      0.4320                 0.1964                 0.1307
 Alpha2 Fr= 1--      0.0836                 0.1900                 0.1333
 Beta2  Fr= 1--      0.5464                 0.3631                 0.1542
 AlphaG Fr= 1--      0.0153                -0.0564                -0.0376
 Gamma2 Fr= 1--      0.0486                -0.9571                -0.5923
 Delta2 Fr= 1--      0.0427                 0.2510                 0.3711
 Raman1 Fr= 1--      30.355                 44.371                 28.313
 ROA1   Fr= 1--       6.028                -83.848                -44.988
 CID1   Fr= 1--       0.199                 -1.890                 -1.589
 Raman2 Fr= 1--       6.557                  4.357                  1.851
 ROA2   Fr= 1--       0.824                -24.978                -17.184
 CID2   Fr= 1--       0.126                 -5.733                 -9.284
 Raman3 Fr= 1--      13.114                  8.714                  3.702
 ROA3   Fr= 1--       6.028                -83.848                -44.988
 CID3   Fr= 1--       0.460                 -9.622                -12.153
 RC180  Fr= 1--      -0.136                 -0.607                 -0.739
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.01  -0.00     0.02  -0.03   0.01    -0.00  -0.01   0.04
     2   6     0.03   0.00   0.01    -0.10  -0.00  -0.05     0.11  -0.11  -0.08
     3   1     0.02  -0.07   0.03    -0.16   0.27  -0.11    -0.32   0.57  -0.19
     4   1     0.13  -0.04   0.01    -0.58   0.13  -0.01    -0.08   0.42  -0.26
     5   6    -0.01  -0.00  -0.00     0.03   0.00   0.00    -0.03   0.05   0.07
     6   6    -0.07   0.01  -0.01     0.23  -0.05   0.06    -0.08  -0.08  -0.01
     7   1     0.03   0.02  -0.02    -0.10   0.00   0.02     0.01  -0.18   0.14
     8   1     0.03   0.01   0.01    -0.09  -0.05  -0.01     0.08   0.10  -0.20
     9   1    -0.01   0.00   0.03     0.03   0.04  -0.08     0.01  -0.16  -0.10
    10   6     0.03   0.02   0.01     0.07   0.04   0.01     0.00   0.02   0.00
    11   6    -0.02   0.04   0.00    -0.09  -0.04  -0.02     0.00   0.03   0.00
    12   6    -0.01   0.00  -0.00     0.02  -0.01   0.00    -0.00  -0.02  -0.00
    13   6    -0.03  -0.04  -0.01    -0.07   0.05   0.00     0.04  -0.00   0.00
    14   6     0.05  -0.03   0.00     0.03   0.01  -0.00    -0.04   0.03  -0.00
    15   1     0.44   0.28   0.06     0.04   0.02   0.03     0.19   0.14   0.04
    16   1    -0.36   0.21  -0.00    -0.34   0.09  -0.02     0.14  -0.04   0.02
    17   1    -0.01  -0.04  -0.01     0.01   0.10   0.02    -0.01   0.06   0.01
    18   1    -0.34  -0.23  -0.08    -0.46  -0.19  -0.08     0.01  -0.02  -0.00
    19   1     0.51  -0.26  -0.00    -0.08   0.07   0.01    -0.05   0.03   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1328.7028              1342.9850              1359.6651
 Red. masses --      1.9455                 2.2933                 1.4856
 Frc consts  --      2.0236                 2.4370                 1.6181
 IR Inten    --     11.6539                 5.0029                 0.3975
 RamAct Fr= 1--     11.2012                 4.1016                 1.0346
  Dep-P Fr= 1--      0.2816                 0.3352                 0.2623
  Dep-U Fr= 1--      0.4395                 0.5021                 0.4156
 Alpha2 Fr= 1--      0.1213                 0.0378                 0.0118
 Beta2  Fr= 1--      0.8205                 0.3432                 0.0717
 AlphaG Fr= 1--      0.0274                -0.0492                -0.0200
 Gamma2 Fr= 1--      0.5290                -0.7415                -0.2640
 Delta2 Fr= 1--     -0.8903                -0.6753                -0.0077
 Raman1 Fr= 1--      44.805                 16.406                  4.138
 ROA1   Fr= 1--      22.291                -92.796                -25.594
 CID1   Fr= 1--       0.498                 -5.656                 -6.185
 Raman2 Fr= 1--       9.846                  4.119                  0.860
 ROA2   Fr= 1--      19.818                -12.395                 -6.275
 CID2   Fr= 1--       2.013                 -3.009                 -7.297
 Raman3 Fr= 1--      19.691                  8.238                  1.720
 ROA3   Fr= 1--      22.291                -92.796                -25.594
 CID3   Fr= 1--       1.132                -11.265                -14.883
 RC180  Fr= 1--      -0.121                  0.004                 -0.169
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02   0.00   0.01    -0.00   0.01  -0.03     0.00  -0.00   0.01
     2   6    -0.14  -0.11  -0.00    -0.12  -0.01   0.07     0.03  -0.01  -0.02
     3   1    -0.07   0.16  -0.05     0.16  -0.32   0.10    -0.03   0.11  -0.03
     4   1     0.61   0.34  -0.34     0.65   0.34  -0.23    -0.11  -0.11   0.05
     5   6     0.04   0.04   0.05     0.05   0.01   0.02    -0.02  -0.01   0.01
     6   6     0.05   0.15   0.00     0.03  -0.16  -0.06    -0.02   0.05   0.01
     7   1    -0.13  -0.04   0.10    -0.14  -0.01   0.06     0.05   0.04  -0.03
     8   1    -0.09  -0.00  -0.19    -0.08  -0.03  -0.03     0.06   0.02  -0.04
     9   1     0.08   0.00  -0.18     0.06   0.09  -0.08    -0.01   0.02  -0.02
    10   6    -0.02  -0.04  -0.00     0.08   0.06   0.02     0.11   0.04   0.02
    11   6     0.05  -0.06  -0.00    -0.11   0.06  -0.00    -0.03   0.00  -0.00
    12   6    -0.00   0.06   0.01     0.01  -0.11  -0.02     0.01  -0.10  -0.02
    13   6    -0.07  -0.04  -0.02     0.10   0.07   0.03     0.03  -0.00   0.00
    14   6     0.06  -0.05   0.00    -0.09   0.05   0.00    -0.11   0.03  -0.01
    15   1    -0.17  -0.13  -0.05     0.02   0.03  -0.01    -0.46  -0.31  -0.08
    16   1    -0.25   0.10  -0.02     0.19  -0.09   0.01    -0.26   0.12  -0.01
    17   1    -0.00  -0.02  -0.00    -0.00   0.09   0.02    -0.02   0.31   0.05
    18   1     0.12   0.08   0.03    -0.19  -0.11  -0.05     0.24   0.13   0.05
    19   1     0.12  -0.08  -0.02    -0.03   0.02  -0.02     0.50  -0.28   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1407.6928              1412.8236              1484.1459
 Red. masses --      1.2216                 1.2022                 1.7785
 Frc consts  --      1.4262                 1.4138                 2.3082
 IR Inten    --      6.0773                43.5650                 9.6824
 RamAct Fr= 1--      1.2915                 6.9986                 1.5648
  Dep-P Fr= 1--      0.7499                 0.5560                 0.6999
  Dep-U Fr= 1--      0.8571                 0.7146                 0.8235
 Alpha2 Fr= 1--      0.0000                 0.0259                 0.0014
 Beta2  Fr= 1--      0.1845                 0.8336                 0.2148
 AlphaG Fr= 1--     -0.0001                -0.0440                 0.0112
 Gamma2 Fr= 1--     -0.2341                -1.2222                 3.8192
 Delta2 Fr= 1--     -0.2216                 0.9757                -1.6468
 Raman1 Fr= 1--       5.166                 27.994                  6.259
 ROA1   Fr= 1--     -29.568                -86.108                313.949
 CID1   Fr= 1--      -5.724                 -3.076                 50.157
 Raman2 Fr= 1--       2.214                 10.003                  2.577
 ROA2   Fr= 1--      -3.846                -37.138                104.835
 CID2   Fr= 1--      -1.737                 -3.713                 40.679
 Raman3 Fr= 1--       4.428                 20.005                  5.154
 ROA3   Fr= 1--     -29.568                -86.108                313.949
 CID3   Fr= 1--      -6.678                 -4.304                 60.911
 RC180  Fr= 1--       0.714                  0.429                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.02    -0.01  -0.00  -0.06    -0.01   0.00   0.00
     2   6    -0.00  -0.00  -0.01     0.04  -0.04   0.07     0.01   0.02   0.00
     3   1    -0.06   0.13  -0.04     0.19  -0.41   0.11    -0.01  -0.01   0.00
     4   1     0.08  -0.15   0.03    -0.44   0.68  -0.11     0.08  -0.05   0.01
     5   6     0.06   0.08  -0.09     0.00   0.03  -0.02     0.03  -0.03   0.01
     6   6    -0.01   0.00  -0.00    -0.01   0.01   0.00     0.02  -0.12  -0.02
     7   1    -0.29  -0.41   0.18     0.01  -0.18   0.07    -0.35   0.25  -0.04
     8   1    -0.39  -0.14   0.38     0.01   0.02   0.16    -0.02  -0.02  -0.29
     9   1    -0.01  -0.37   0.43    -0.00  -0.03   0.05    -0.03   0.08   0.28
    10   6     0.00   0.00   0.00    -0.01   0.00   0.00    -0.09   0.03  -0.00
    11   6     0.00   0.00   0.00     0.03  -0.01   0.00     0.11   0.01   0.02
    12   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.10  -0.02
    13   6     0.00  -0.00   0.00    -0.02  -0.02  -0.00    -0.12  -0.01  -0.02
    14   6    -0.01   0.00   0.00     0.01   0.01   0.00     0.05   0.06   0.02
    15   1    -0.01  -0.01  -0.00    -0.04  -0.02  -0.01     0.12   0.17   0.04
    16   1    -0.01   0.01   0.00    -0.09   0.05  -0.00    -0.23   0.21   0.01
    17   1    -0.00   0.02   0.00    -0.01   0.08   0.01    -0.02   0.51   0.09
    18   1     0.02   0.01   0.00     0.09   0.05   0.02     0.28   0.25   0.08
    19   1     0.06  -0.03  -0.01     0.06  -0.02  -0.00    -0.05   0.12   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.0922              1493.4677              1534.0705
 Red. masses --      1.1869                 1.0487                 2.1773
 Frc consts  --      1.5589                 1.3781                 3.0190
 IR Inten    --      0.4295                11.4754                 9.5881
 RamAct Fr= 1--      3.2643                 4.7692                 0.4680
  Dep-P Fr= 1--      0.7500                 0.7191                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8366                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0025                 0.0000
 Beta2  Fr= 1--      0.4663                 0.6650                 0.0668
 AlphaG Fr= 1--      0.0002                 0.0226                 0.0001
 Gamma2 Fr= 1--     -2.1761                 1.4613                -0.5120
 Delta2 Fr= 1--      0.0096                 0.9538                 0.2249
 Raman1 Fr= 1--      13.057                 19.077                  1.872
 ROA1   Fr= 1--    -208.603                170.811                -41.957
 CID1   Fr= 1--     -15.976                  8.954                -22.414
 Raman2 Fr= 1--       5.596                  7.980                  0.802
 ROA2   Fr= 1--     -52.304                 27.442                -14.088
 CID2   Fr= 1--      -9.347                  3.439                -17.562
 Raman3 Fr= 1--      11.192                 15.959                  1.604
 ROA3   Fr= 1--    -208.603                170.811                -41.957
 CID3   Fr= 1--     -18.639                 10.703                -26.152
 RC180  Fr= 1--       0.714                  0.673                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.01    -0.00   0.00  -0.00
     2   6    -0.03   0.03  -0.00    -0.02  -0.01  -0.02    -0.03  -0.00  -0.00
     3   1    -0.00   0.02  -0.01    -0.05   0.08  -0.03    -0.01  -0.01   0.00
     4   1     0.12  -0.09   0.02     0.09  -0.03  -0.04    -0.04  -0.00   0.00
     5   6    -0.04   0.03   0.01    -0.02  -0.02  -0.04    -0.01   0.00   0.00
     6   6     0.00  -0.05  -0.01     0.00  -0.00  -0.00     0.13   0.01   0.02
     7   1     0.58  -0.30   0.02    -0.16  -0.38   0.15     0.08  -0.04   0.00
     8   1    -0.04  -0.01   0.40     0.53   0.20   0.32     0.00   0.00   0.06
     9   1     0.07  -0.15  -0.50    -0.07   0.58   0.16     0.01  -0.00  -0.08
    10   6    -0.03   0.02   0.00    -0.00   0.00   0.00    -0.06  -0.10  -0.02
    11   6     0.05   0.00   0.01     0.01  -0.00   0.00    -0.12   0.09   0.00
    12   6    -0.00  -0.05  -0.01    -0.00  -0.00  -0.00     0.10   0.02   0.02
    13   6    -0.04   0.01  -0.00    -0.01   0.00  -0.00    -0.10  -0.11  -0.03
    14   6     0.04   0.01   0.01     0.01   0.00   0.00    -0.08   0.09   0.01
    15   1     0.01   0.05   0.01     0.00   0.01   0.00     0.38   0.16   0.06
    16   1    -0.12   0.10   0.00    -0.01   0.01  -0.00     0.44  -0.19   0.02
    17   1    -0.02   0.21   0.04    -0.00   0.02   0.00     0.13  -0.04   0.01
    18   1     0.06   0.08   0.02     0.01   0.01   0.00     0.42   0.19   0.08
    19   1    -0.06   0.07   0.00    -0.02   0.01   0.01     0.45  -0.16   0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1629.0041              1650.0597              3026.4562
 Red. masses --      5.5328                 5.5341                 1.0471
 Frc consts  --      8.6505                 8.8776                 5.6507
 IR Inten    --      0.6841                 4.0958                10.9677
 RamAct Fr= 1--      8.2813                38.8633               244.8430
  Dep-P Fr= 1--      0.7174                 0.6183                 0.0350
  Dep-U Fr= 1--      0.8355                 0.7641                 0.0675
 Alpha2 Fr= 1--      0.0047                 0.0937                 5.0122
 Beta2  Fr= 1--      1.1531                 4.9494                 2.7562
 AlphaG Fr= 1--      0.0258                 0.0283                 0.5808
 Gamma2 Fr= 1--     -0.5537                -0.8414                 5.3742
 Delta2 Fr= 1--     -0.0362                 0.2274                 7.0233
 Raman1 Fr= 1--      33.125                155.453                979.372
 ROA1   Fr= 1--     -54.311                -73.494                740.672
 CID1   Fr= 1--      -1.640                 -0.473                  0.756
 Raman2 Fr= 1--      13.838                 59.393                 33.074
 ROA2   Fr= 1--     -12.998                -22.011                 72.795
 CID2   Fr= 1--      -0.939                 -0.371                  2.201
 Raman3 Fr= 1--      27.675                118.785                 66.149
 ROA3   Fr= 1--     -54.311                -73.494                740.672
 CID3   Fr= 1--      -1.962                 -0.619                 11.197
 RC180  Fr= 1--       0.671                  0.528                 -0.865
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.04   0.00     0.03   0.00   0.01     0.01   0.01   0.03
     3   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00   0.01   0.01
     4   1     0.13  -0.05   0.01     0.04   0.02  -0.01    -0.07  -0.14  -0.34
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.05
     6   6     0.00  -0.29  -0.05    -0.21  -0.03  -0.03    -0.00   0.00   0.00
     7   1     0.02  -0.01   0.00    -0.03  -0.00   0.01     0.13   0.28   0.69
     8   1    -0.02  -0.01   0.03    -0.01  -0.00  -0.01     0.13  -0.32  -0.02
     9   1     0.01   0.00  -0.03    -0.00  -0.01   0.04    -0.39  -0.02  -0.08
    10   6     0.09   0.20   0.04     0.28   0.10   0.05    -0.00   0.00   0.00
    11   6     0.09  -0.21  -0.02    -0.27   0.06  -0.02    -0.00   0.00   0.00
    12   6    -0.03   0.36   0.06     0.14   0.00   0.02     0.00  -0.00  -0.00
    13   6    -0.05  -0.20  -0.04    -0.27  -0.08  -0.05     0.00  -0.00  -0.00
    14   6    -0.11   0.17   0.02     0.30  -0.07   0.02    -0.00  -0.00  -0.00
    15   1    -0.32  -0.05  -0.03    -0.28  -0.26  -0.07     0.00  -0.00  -0.00
    16   1    -0.26  -0.05  -0.04     0.25  -0.21  -0.00    -0.00  -0.00  -0.00
    17   1     0.02  -0.49  -0.08     0.15   0.02   0.02    -0.00  -0.00   0.00
    18   1     0.22  -0.05   0.02     0.24   0.25   0.07     0.00   0.00   0.00
    19   1     0.30  -0.03   0.02    -0.33   0.26   0.01     0.01   0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3038.2243              3096.6057              3116.6657
 Red. masses --      1.0754                 1.0970                 1.1021
 Frc consts  --      5.8489                 6.1975                 6.3077
 IR Inten    --     19.6066                28.8179                23.8105
 RamAct Fr= 1--     56.6406               110.1291                84.2474
  Dep-P Fr= 1--      0.5146                 0.3149                 0.6802
  Dep-U Fr= 1--      0.6795                 0.4789                 0.8097
 Alpha2 Fr= 1--      0.2608                 1.0799                 0.1037
 Beta2  Fr= 1--      6.4146                 8.7907                11.3687
 AlphaG Fr= 1--      0.7663                -0.0119                -0.0472
 Gamma2 Fr= 1--      8.0025               -12.8407                -1.9668
 Delta2 Fr= 1--      0.9779               -11.1385                 1.7330
 Raman1 Fr= 1--     226.563                440.517                336.990
 ROA1   Fr= 1--     799.533              -1589.143               -133.354
 CID1   Fr= 1--       3.529                 -3.607                 -0.396
 Raman2 Fr= 1--      76.976                105.488                136.424
 ROA2   Fr= 1--     184.238               -219.069                -61.066
 CID2   Fr= 1--       2.393                 -2.077                 -0.448
 Raman3 Fr= 1--     153.951                210.977                272.848
 ROA3   Fr= 1--     799.533              -1589.143               -133.354
 CID3   Fr= 1--       5.193                 -7.532                 -0.489
 RC180  Fr= 1--       0.359                 -0.042                  0.619
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.03  -0.07    -0.00  -0.01  -0.02     0.00  -0.00  -0.00
     3   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   1     0.17   0.33   0.82     0.03   0.06   0.16    -0.00   0.00   0.00
     5   6     0.01   0.01  -0.01    -0.04  -0.06  -0.05     0.07  -0.06   0.01
     6   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1     0.03   0.07   0.18     0.10   0.22   0.56     0.02  -0.01   0.01
     8   1     0.10  -0.22  -0.01    -0.20   0.44   0.01    -0.29   0.71   0.03
     9   1    -0.28  -0.01  -0.05     0.59   0.02   0.09    -0.62  -0.04  -0.11
    10   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    19   1    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01    -0.03  -0.05  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3160.3657              3169.9116              3179.8401
 Red. masses --      1.0860                 1.0867                 1.0914
 Frc consts  --      6.3905                 6.4339                 6.5021
 IR Inten    --      7.1246                 0.4829                21.5036
 RamAct Fr= 1--     40.4410               114.0094                83.3927
  Dep-P Fr= 1--      0.5478                 0.5894                 0.6786
  Dep-U Fr= 1--      0.7079                 0.7417                 0.8085
 Alpha2 Fr= 1--      0.1565                 0.3412                 0.1051
 Beta2  Fr= 1--      4.7713                14.0934                11.2376
 AlphaG Fr= 1--     -0.1295                -0.0699                -0.1094
 Gamma2 Fr= 1--     -1.0585                 2.8653                -0.3203
 Delta2 Fr= 1--      0.8023                 1.0316                 1.6129
 Raman1 Fr= 1--     161.764                456.038                333.571
 ROA1   Fr= 1--     -75.946                308.080                 20.866
 CID1   Fr= 1--      -0.469                  0.676                  0.063
 Raman2 Fr= 1--      57.255                169.121                134.851
 ROA2   Fr= 1--     -31.823                 60.515                -20.590
 CID2   Fr= 1--      -0.556                  0.358                 -0.153
 Raman3 Fr= 1--     114.510                338.242                269.703
 ROA3   Fr= 1--     -75.946                308.080                 20.866
 CID3   Fr= 1--      -0.663                  0.911                  0.077
 RC180  Fr= 1--       0.416                  0.483                  0.617
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   1    -0.02   0.06   0.00     0.01  -0.02  -0.00    -0.01   0.02   0.00
     9   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.01   0.02   0.00
    11   6    -0.01  -0.01  -0.00    -0.03  -0.05  -0.01    -0.02  -0.04  -0.01
    12   6     0.02   0.00   0.00     0.04   0.00   0.01    -0.03   0.00  -0.00
    13   6    -0.02   0.03   0.00    -0.01   0.01   0.00     0.03  -0.05  -0.00
    14   6    -0.03  -0.06  -0.02     0.01   0.03   0.01    -0.02  -0.03  -0.01
    15   1     0.02  -0.04  -0.00     0.11  -0.17  -0.01     0.11  -0.17  -0.01
    16   1     0.07   0.14   0.03     0.31   0.61   0.14     0.23   0.46   0.10
    17   1    -0.23  -0.01  -0.03    -0.53  -0.02  -0.07     0.33   0.01   0.04
    18   1     0.26  -0.41  -0.04     0.08  -0.12  -0.01    -0.36   0.55   0.06
    19   1     0.36   0.72   0.18    -0.17  -0.33  -0.08     0.16   0.32   0.08
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3192.4005              3201.4134              3780.6753
 Red. masses --      1.0948                 1.0933                 1.0659
 Frc consts  --      6.5738                 6.6019                 8.9763
 IR Inten    --     19.7703                 7.7905                18.7187
 RamAct Fr= 1--    164.6715               201.9105                65.3360
  Dep-P Fr= 1--      0.1291                 0.1108                 0.1549
  Dep-U Fr= 1--      0.2287                 0.1995                 0.2683
 Alpha2 Fr= 1--      2.6829                 3.4427                 0.9975
 Beta2  Fr= 1--      6.2775                 6.7126                 2.9213
 AlphaG Fr= 1--     -0.3737                 0.3488                 1.4623
 Gamma2 Fr= 1--     -1.8895                 2.7981                 9.7049
 Delta2 Fr= 1--     -4.3350                 2.4854                 2.1944
 Raman1 Fr= 1--     658.686                807.642                261.344
 ROA1   Fr= 1--    -320.110                348.154               1001.889
 CID1   Fr= 1--      -0.486                  0.431                  3.834
 Raman2 Fr= 1--      75.329                 80.551                 35.055
 ROA2   Fr= 1--     -10.667                 47.272                215.361
 CID2   Fr= 1--      -0.142                  0.587                  6.143
 Raman3 Fr= 1--     150.659                161.103                 70.110
 ROA3   Fr= 1--    -320.110                348.154               1001.889
 CID3   Fr= 1--      -2.125                  2.161                 14.290
 RC180  Fr= 1--      -0.543                 -0.601                 -0.463
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.02  -0.06
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.04   0.35   0.93
     4   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     7   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   1     0.00  -0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    10   6    -0.02   0.03   0.00     0.04  -0.06  -0.00     0.00  -0.00  -0.00
    11   6    -0.01  -0.02  -0.00    -0.02  -0.03  -0.01    -0.00   0.00  -0.00
    12   6    -0.06  -0.00  -0.01    -0.02   0.00  -0.00     0.00  -0.00  -0.00
    13   6    -0.02   0.04   0.00    -0.01   0.01   0.00     0.00   0.00   0.00
    14   6     0.01   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.20  -0.32  -0.02    -0.47   0.73   0.05    -0.00   0.00   0.00
    16   1     0.09   0.19   0.04     0.17   0.34   0.08    -0.00  -0.00  -0.00
    17   1     0.69   0.03   0.08     0.24   0.01   0.03    -0.00   0.00   0.00
    18   1     0.29  -0.45  -0.05     0.07  -0.11  -0.01    -0.00   0.00  -0.00
    19   1    -0.08  -0.16  -0.04    -0.02  -0.04  -0.01     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   520.958741552.451131940.40871
           X            0.99974   0.02097  -0.00937
           Y           -0.02084   0.99969   0.01351
           Z            0.00965  -0.01331   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16626     0.05579     0.04464
 Rotational constants (GHZ):           3.46427     1.16251     0.93008
 Zero-point vibrational energy     422266.0 (Joules/Mol)
                                  100.92399 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     44.73   200.80   316.97   367.78   414.19
          (Kelvin)            468.95   571.55   596.61   672.40   761.77
                              883.12   918.20  1027.40  1087.63  1124.16
                             1232.92  1313.72  1327.23  1383.19  1408.10
                             1474.67  1482.82  1514.87  1536.80  1577.94
                             1620.81  1705.04  1735.19  1753.67  1847.91
                             1911.71  1932.26  1956.25  2025.36  2032.74
                             2135.35  2148.23  2148.77  2207.19  2343.77
                             2374.07  4354.40  4371.33  4455.32  4484.19
                             4547.06  4560.80  4575.08  4593.15  4606.12
                             5439.55
 
 Zero-point correction=                           0.160833 (Hartree/Particle)
 Thermal correction to Energy=                    0.169219
 Thermal correction to Enthalpy=                  0.170163
 Thermal correction to Gibbs Free Energy=         0.127253
 Sum of electronic and zero-point Energies=           -386.115055
 Sum of electronic and thermal Energies=              -386.106669
 Sum of electronic and thermal Enthalpies=            -386.105725
 Sum of electronic and thermal Free Energies=         -386.148635
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.186             32.278             90.312
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.841
 Vibrational            104.409             26.316             21.158
 Vibration     1          0.594              1.983              5.759
 Vibration     2          0.615              1.914              2.810
 Vibration     3          0.647              1.810              1.957
 Vibration     4          0.666              1.753              1.691
 Vibration     5          0.685              1.696              1.486
 Vibration     6          0.710              1.624              1.280
 Vibration     7          0.764              1.476              0.973
 Vibration     8          0.778              1.438              0.910
 Vibration     9          0.825              1.322              0.745
 Vibration    10          0.884              1.185              0.588
 Vibration    11          0.973              1.003              0.427
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.293651D-58        -58.532169       -134.775299
 Total V=0       0.279020D+16         15.445635         35.564888
 Vib (Bot)       0.123522D-71        -71.908256       -165.574878
 Vib (Bot)    1  0.665870D+01          0.823390          1.895925
 Vib (Bot)    2  0.145713D+01          0.163497          0.376467
 Vib (Bot)    3  0.897731D+00         -0.046854         -0.107884
 Vib (Bot)    4  0.761462D+00         -0.118352         -0.272515
 Vib (Bot)    5  0.665051D+00         -0.177145         -0.407892
 Vib (Bot)    6  0.574685D+00         -0.240570         -0.553933
 Vib (Bot)    7  0.449581D+00         -0.347192         -0.799440
 Vib (Bot)    8  0.425172D+00         -0.371436         -0.855262
 Vib (Bot)    9  0.361728D+00         -0.441618         -1.016863
 Vib (Bot)   10  0.302216D+00         -0.519682         -1.196613
 Vib (Bot)   11  0.239811D+00         -0.620130         -1.427903
 Vib (V=0)       0.117367D+03          2.069548          4.765310
 Vib (V=0)    1  0.717745D+01          0.855970          1.970944
 Vib (V=0)    2  0.204053D+01          0.309742          0.713207
 Vib (V=0)    3  0.152758D+01          0.184004          0.423685
 Vib (V=0)    4  0.141095D+01          0.149511          0.344261
 Vib (V=0)    5  0.133204D+01          0.124518          0.286712
 Vib (V=0)    6  0.126175D+01          0.100973          0.232500
 Vib (V=0)    7  0.117240D+01          0.069076          0.159054
 Vib (V=0)    8  0.115633D+01          0.063082          0.145252
 Vib (V=0)    9  0.111713D+01          0.048103          0.110761
 Vib (V=0)   10  0.108424D+01          0.035125          0.080878
 Vib (V=0)   11  0.105454D+01          0.023061          0.053100
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.448438D+06          5.651703         13.013527
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                3333333 33                                             11 1111111111111111111                                  
     7                2111110 00                                             66 54444433322211000009999 8 77 7 66  5 443  3222  1    
     8                0987619 32                                             52 39981064281082965327621 5 85 1 31  2 619  2852  4  3 
     1                1200077 86                                             09 43343803949657783159123 7 16 4 84  9 757  6860  0  1 
 
     X                XXXXXXX XX                                             XX XXXXXXXXXXXXXXXXXXXXXXX X XX X XX  X XXX  XXXX  X  X 
     X                 XX  XX XX                                                XX XX   X X  XXXXX    X   XX X     X       X         
     X                 XX  XX X                                                     X     X  XX XX        XX X     X       X         
                           XX                                                       X        XX XX           X             X         
                            X                                                       X        XX  X           X             X         
                                                                                    X                        X             X         
                                                                                    X                                      X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000003977    0.000004629   -0.000001523
      2        6           0.000011934   -0.000010061   -0.000005846
      3        1           0.000000818   -0.000001981    0.000000317
      4        1          -0.000003004    0.000000651    0.000000631
      5        6          -0.000002483   -0.000000322    0.000005709
      6        6          -0.000002629    0.000003240    0.000004686
      7        1           0.000000722    0.000000557   -0.000001050
      8        1           0.000003061    0.000000745   -0.000000752
      9        1           0.000000724    0.000000788    0.000000622
     10        6           0.000012685    0.000005202    0.000005888
     11        6          -0.000013367    0.000002205   -0.000001977
     12        6          -0.000000073   -0.000012869   -0.000002348
     13        6           0.000010194    0.000006624    0.000002206
     14        6          -0.000013060    0.000004238   -0.000000216
     15        1          -0.000000491   -0.000002145   -0.000004862
     16        1           0.000002634   -0.000000488   -0.000000521
     17        1           0.000000174    0.000002285   -0.000000152
     18        1          -0.000002035   -0.000000934   -0.000000282
     19        1          -0.000001829   -0.000002364   -0.000000529
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013367 RMS     0.000004960
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128763D+03  0.156488D+01  0.210390D+01
      2   0.156488D+01  0.106432D+03  0.549117D+01
      3   0.210390D+01  0.549117D+01  0.693455D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.668539D+00  0.455413D+00  0.692538D+01
      2   0.102567D+02  0.932496D+01 -0.306358D+01
      3  -0.610370D+01 -0.397856D+02 -0.885443D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.950833D+02  0.509288D+01  0.847793D+01
      2  -0.407981D+02 -0.133681D+02 -0.129996D+02
      3  -0.542853D+02  0.827520D+01  0.452172D+01
      4  -0.274737D+02  0.700446D+02  0.220627D+02
      5   0.284028D+02  0.235905D+02 -0.108381D+02
      6   0.909041D+01  0.103491D+02 -0.150359D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.298193D+01  0.232772D+01 -0.716295D+00  0.751827D+00 -0.225117D+01
      2   0.232772D+01 -0.135934D+01  0.104807D+01 -0.225117D+01  0.236359D+01
      3  -0.716295D+00  0.104807D+01  0.757324D-02  0.140619D+01 -0.237874D+01
                 6             7             8             9            10 
      1   0.140619D+01 -0.194998D+01  0.160180D+01 -0.369457D+00  0.536125D+01
      2  -0.237874D+01  0.160180D+01 -0.289380D+01 -0.819061D+00  0.197948D+01
      3  -0.170095D+01 -0.369457D+00 -0.819061D+00 -0.478848D+01  0.160856D+00
                11            12            13            14            15 
      1   0.197948D+01  0.160856D+00  0.709255D+01  0.413082D+01 -0.139303D+01
      2   0.196263D+01 -0.107732D+01  0.413082D+01  0.363503D-01  0.768142D+00
      3  -0.107732D+01  0.138093D+01 -0.139303D+01  0.768142D+00  0.438753D+01
                16            17            18            19            20 
      1  -0.103452D+00 -0.160008D+01  0.408505D+01 -0.600280D+00  0.492192D+00
      2  -0.160008D+01 -0.345491D+00  0.348366D+01  0.492192D+00 -0.530314D+00
      3   0.408505D+01  0.348366D+01  0.541862D+01  0.329434D+00 -0.239123D+00
                21            22            23            24            25 
      1   0.329434D+00  0.125054D+01 -0.923287D+00 -0.521426D+00  0.209668D+01
      2  -0.239123D+00 -0.923287D+00  0.246109D+01  0.115980D+01 -0.123813D+01
      3  -0.470643D+00 -0.521426D+00  0.115980D+01  0.173114D+01 -0.136756D+01
                26            27            28            29            30 
      1  -0.123813D+01 -0.136756D+01 -0.240287D+01 -0.791144D+00 -0.172715D+01
      2   0.296357D+01  0.229057D+01 -0.791144D+00 -0.663515D+00 -0.230694D+00
      3   0.229057D+01  0.445995D+01 -0.172715D+01 -0.230694D+00 -0.151132D+01
                31            32            33            34            35 
      1  -0.301784D+01 -0.172625D+01 -0.666356D+00 -0.450698D+01 -0.592328D+00
      2  -0.172625D+01 -0.126393D+01 -0.148216D+01 -0.592328D+00 -0.158696D+01
      3  -0.666356D+00 -0.148216D+01 -0.240490D+01 -0.306859D+01 -0.192256D+01
                36            37            38            39            40 
      1  -0.306859D+01  0.874028D+01  0.940719D+00  0.155290D+01 -0.306318D+01
      2  -0.192256D+01  0.940719D+00 -0.289047D+01  0.853134D+00 -0.359594D+01
      3  -0.771756D+01  0.155290D+01  0.853134D+00 -0.169025D+01  0.161352D+01
                41            42            43            44            45 
      1  -0.359594D+01  0.161352D+01  0.557159D+01  0.229776D+01 -0.209863D+01
      2   0.316744D+01  0.351836D+00  0.229776D+01  0.897669D+00 -0.293332D+01
      3   0.351836D+00 -0.321411D+01 -0.209863D+01 -0.293332D+01 -0.458325D+01
                46            47            48            49            50 
      1  -0.180729D+02 -0.275066D+01 -0.577112D+00 -0.343669D+01  0.184765D+01
      2  -0.275066D+01 -0.269450D+01 -0.115557D+00  0.184765D+01 -0.100656D+00
      3  -0.577112D+00 -0.115557D+00 -0.168228D+01  0.102715D+01  0.706911D-02
                51            52            53            54            55 
      1   0.102715D+01 -0.702849D+00  0.954998D+00 -0.376767D+01 -0.441653D+00
      2   0.706911D-02  0.954998D+00  0.792513D-02 -0.654441D+00  0.167618D+00
      3  -0.346146D+00 -0.376767D+01 -0.654441D+00 -0.157407D+01  0.614133D+00
                56            57            58            59            60 
      1   0.167618D+00  0.614133D+00  0.104075D+01  0.173763D+00 -0.520772D+00
      2   0.606492D+00 -0.125021D+00  0.173763D+00  0.497898D+00  0.107859D+01
      3  -0.125021D+00  0.110455D+01 -0.520772D+00  0.107859D+01  0.224370D+01
                61            62            63            64            65 
      1   0.107871D+01  0.741868D-01 -0.659863D+00  0.647685D+00 -0.874242D+00
      2   0.741868D-01  0.139909D+01  0.679500D+00 -0.874242D+00  0.167936D+01
      3  -0.659863D+00  0.679500D+00  0.727415D+01 -0.306746D+00 -0.385586D+00
                66            67            68            69            70 
      1  -0.306746D+00 -0.176342D+01  0.519271D+00  0.116939D+00 -0.650231D+00
      2  -0.385586D+00  0.519271D+00 -0.748558D+01  0.682223D+00 -0.296051D+00
      3   0.658890D+00  0.116939D+00  0.682223D+00 -0.106522D+01  0.216398D+00
                71            72            73            74            75 
      1  -0.296051D+00  0.216398D+00 -0.139971D+02 -0.239335D+01  0.142416D+00
      2   0.273917D+00 -0.744302D+00 -0.239335D+01 -0.138704D+01  0.154988D+00
      3  -0.744302D+00  0.631785D+00  0.142416D+00  0.154988D+00 -0.123476D+01
                76            77            78            79            80 
      1  -0.531998D+00 -0.118472D+01 -0.222579D+00 -0.243505D+01 -0.524787D+00
      2  -0.118472D+01 -0.885578D+00 -0.694950D-01 -0.524787D+00 -0.571718D+00
      3  -0.222579D+00 -0.694950D-01  0.263402D+00 -0.107089D+01  0.650860D-01
                81            82            83            84            85 
      1  -0.107089D+01  0.515445D+01 -0.798855D+00  0.257933D+00  0.837790D+01
      2   0.650860D-01 -0.798855D+00 -0.299689D+01 -0.893304D+00  0.243725D+00
      3  -0.261387D-01  0.257933D+00 -0.893304D+00 -0.153821D+01  0.602269D-01
                86            87            88            89            90 
      1   0.243725D+00  0.602269D-01  0.273270D+01 -0.313139D+00 -0.181801D+01
      2   0.154436D+01 -0.478897D+00 -0.313139D+00 -0.127820D+01  0.360074D+01
      3  -0.478897D+00  0.174514D+01 -0.181801D+01  0.360074D+01  0.850523D+00
                91            92            93            94            95 
      1  -0.384640D+01 -0.314332D+00 -0.509183D+00  0.508621D+01 -0.143978D+00
      2  -0.314332D+00  0.262440D+01 -0.303102D+00 -0.143978D+00  0.952769D+00
      3  -0.509183D+00 -0.303102D+00  0.793804D+00 -0.189499D+00 -0.778390D+00
                96            97            98            99           100 
      1  -0.189499D+00  0.241324D+00 -0.927125D+00  0.216827D+01  0.563556D+01
      2  -0.778390D+00 -0.927125D+00 -0.706134D+00  0.372227D+01  0.294788D+00
      3   0.151253D+01  0.216827D+01  0.372227D+01  0.226812D+01 -0.604029D+00
               101           102           103           104           105 
      1   0.294788D+00 -0.604029D+00  0.971931D+00 -0.688065D+00 -0.108469D+01
      2   0.314707D+01  0.139213D+00 -0.688065D+00 -0.866309D-01 -0.322977D+00
      3   0.139213D+00  0.217353D+01 -0.108469D+01 -0.322977D+00 -0.104435D+00
               106           107           108           109           110 
      1  -0.430012D+00 -0.109527D+01  0.524479D+01 -0.302947D+01 -0.407140D-01
      2  -0.109527D+01  0.199003D+00  0.131257D+00 -0.407140D-01  0.235774D+01
      3   0.524479D+01  0.131257D+00  0.113719D+01 -0.442043D+00  0.819600D+00
               111           112           113           114           115 
      1  -0.442043D+00 -0.570390D+01 -0.572442D+00 -0.888377D+00 -0.190147D+01
      2   0.819600D+00 -0.572442D+00 -0.717159D+00  0.884843D+00 -0.189388D+00
      3   0.137972D+01 -0.888377D+00  0.884843D+00 -0.166608D+01  0.281871D+01
               116           117           118           119           120 
      1  -0.189388D+00  0.281871D+01  0.441304D+01  0.179770D+01  0.474789D+00
      2   0.159220D+01 -0.335232D+01  0.179770D+01 -0.273575D+01  0.710734D-01
      3  -0.335232D+01 -0.845592D+00  0.474789D+00  0.710734D-01 -0.876116D+00
               121           122           123           124           125 
      1  -0.703651D+01 -0.905271D+00  0.301305D+00 -0.103599D+00  0.899676D+00
      2  -0.905271D+00 -0.142234D+01  0.930583D+00  0.899676D+00  0.484379D+00
      3   0.301305D+00  0.930583D+00 -0.129088D+01 -0.975911D+00 -0.330051D+01
               126           127           128           129           130 
      1  -0.975911D+00 -0.285952D+01  0.209360D+01  0.232120D-01  0.233151D+01
      2  -0.330051D+01  0.209360D+01 -0.256834D+01 -0.985057D-01 -0.279789D+01
      3  -0.235058D+01  0.232120D-01 -0.985057D-01 -0.200180D+00 -0.224507D+00
               131           132           133           134           135 
      1  -0.279789D+01 -0.224507D+00 -0.286634D+00 -0.137241D-01  0.978268D-01
      2   0.713125D+01  0.439395D+00 -0.137241D-01  0.450410D+00  0.117543D+00
      3   0.439395D+00  0.739999D+00  0.978268D-01  0.117543D+00 -0.242595D-01
               136           137           138           139           140 
      1   0.294317D+01  0.304172D+01  0.743085D+00  0.279342D+01  0.416276D+01
      2   0.304172D+01  0.322681D+01  0.736849D+00  0.416276D+01  0.883871D+01
      3   0.743085D+00  0.736849D+00  0.587068D+00  0.829072D+00  0.164422D+01
               141           142           143           144           145 
      1   0.829072D+00  0.726229D+00  0.989916D+00  0.323577D+00  0.133519D+02
      2   0.164422D+01  0.989916D+00  0.180346D+01  0.469538D+00  0.385906D+00
      3   0.115235D+01  0.323577D+00  0.469538D+00  0.268873D+00  0.133699D+01
               146           147           148           149           150 
      1   0.385906D+00  0.133699D+01  0.273255D+00  0.159315D+01  0.297083D+00
      2   0.787641D+00  0.201512D-01  0.159315D+01  0.147012D+00  0.170593D+00
      3   0.201512D-01  0.103421D+01  0.297083D+00  0.170593D+00  0.804390D-01
               151           152           153           154           155 
      1   0.154804D+01  0.322721D+00  0.252714D+00  0.409729D+01 -0.361203D+01
      2   0.322721D+00  0.922410D-01  0.149272D-01 -0.361203D+01  0.358165D+01
      3   0.252714D+00  0.149272D-01  0.205991D+00 -0.320416D+00  0.259990D+00
               156           157           158           159           160 
      1  -0.320416D+00 -0.346069D+01  0.454507D+01  0.613693D+00 -0.260259D+00
      2   0.259990D+00  0.454507D+01 -0.769710D+01 -0.872497D+00  0.436336D+00
      3   0.503527D+00  0.613693D+00 -0.872497D+00 -0.874278D+00  0.126328D+00
               161           162           163           164           165 
      1   0.436336D+00  0.126328D+00 -0.211254D+01 -0.194612D+01 -0.432774D+00
      2  -0.978068D+00 -0.297016D+00 -0.194612D+01 -0.214762D+01 -0.634859D+00
      3  -0.297016D+00 -0.170018D+00 -0.432774D+00 -0.634859D+00 -0.420059D+00
               166           167           168           169           170 
      1  -0.195566D+01 -0.242719D+01 -0.553935D+00 -0.664741D+00 -0.787371D+00
      2  -0.242719D+01 -0.748151D+01 -0.173414D+01 -0.787371D+00 -0.180349D+01
      3  -0.553935D+00 -0.173414D+01 -0.118923D+01 -0.137077D+00 -0.551571D+00
               171 
      1  -0.137077D+00
      2  -0.551571D+00
      3  -0.435255D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.148495D+00 -0.351632D+00  0.670164D+00 -0.153640D+00  0.796325D-01
      2  -0.717140D+00 -0.264432D+00  0.424316D+01 -0.140661D+01  0.431172D+01
      3   0.263520D+01 -0.898551D+01  0.114400D+01  0.137809D+01  0.672321D+01
                 6             7             8             9            10 
      1  -0.656331D+00 -0.472680D+01  0.679258D+01  0.859513D+01 -0.243358D+01
      2   0.339604D+01 -0.100669D+01  0.434564D+01  0.116998D+02  0.180502D+01
      3  -0.566786D+01 -0.147844D-01 -0.647387D+01 -0.278321D+01  0.726331D+01
                11            12            13            14            15 
      1  -0.369196D-01  0.913789D+00 -0.118937D+01 -0.531225D+00  0.531217D+00
      2   0.172274D+01 -0.119703D+01  0.484408D+01  0.861232D+00 -0.706996D+01
      3   0.231722D+01 -0.364233D+00  0.139132D+02 -0.710805D+01  0.152309D+01
                16            17            18            19            20 
      1   0.482086D+01  0.517246D+01 -0.610773D+00 -0.484716D+00  0.406667D+00
      2  -0.159578D+02 -0.771735D+01 -0.835575D+01 -0.214442D+01  0.807490D+00
      3  -0.929000D+00 -0.140592D+01  0.676674D+01  0.264068D+01 -0.493874D+00
                21            22            23            24            25 
      1   0.604705D+00  0.105957D+01 -0.309051D+01 -0.409535D+01  0.331566D+01
      2   0.131687D+01  0.938325D+00 -0.339573D+01 -0.469376D+01  0.814370D+00
      3  -0.545440D-01  0.419827D+00  0.514396D+01  0.294037D+01 -0.756649D-01
                26            27            28            29            30 
      1  -0.312223D+01 -0.943829D+01 -0.694945D+00  0.112585D+01 -0.584785D+00
      2  -0.641393D+01 -0.115851D+02  0.162827D+01  0.386711D+00  0.295021D+01
      3   0.752737D+01  0.547605D+01 -0.175475D+01 -0.338987D+01 -0.340894D+00
                31            32            33            34            35 
      1   0.119729D+01  0.722458D+00 -0.976095D+00 -0.130448D+01  0.223522D+01
      2  -0.328993D+00  0.131270D+01  0.442126D+01  0.192022D+01  0.309183D+01
      3  -0.209438D+01 -0.131384D+01 -0.310392D+01 -0.935520D-01 -0.310817D+01
                36            37            38            39            40 
      1  -0.133463D+01  0.406478D+01 -0.222900D+01 -0.236547D+01  0.607368D+00
      2   0.126930D+02 -0.119161D+02 -0.398362D+01  0.648483D+01 -0.613704D+01
      3  -0.386942D+01 -0.826624D+01 -0.137237D+02  0.141196D+00 -0.823115D+01
                41            42            43            44            45 
      1   0.701555D+01 -0.684759D+01 -0.126394D+01 -0.270477D+01 -0.698259D+01
      2   0.113318D+00  0.764128D+01  0.188595D+01  0.731200D+01  0.127077D+02
      3   0.170257D+02 -0.377023D+00  0.201428D+01 -0.104262D+01 -0.659907D+01
                46            47            48            49            50 
      1   0.987319D+00 -0.898485D+00 -0.539737D+00 -0.354865D+01 -0.158854D+01
      2  -0.251218D-01 -0.195859D+01 -0.999231D+00 -0.194217D+01  0.517761D+00
      3  -0.791521D+01  0.632283D+01  0.701534D+00  0.169481D+02 -0.233101D+00
                51            52            53            54            55 
      1   0.695721D+00  0.111003D+01  0.103651D+02  0.219225D+01  0.101460D+01
      2   0.947315D+00 -0.127827D+02  0.490148D+00  0.364984D+00 -0.187645D+01
      3   0.245153D+00 -0.225869D+00  0.269620D+01 -0.984959D+00  0.105392D+01
                56            57            58            59            60 
      1   0.105074D+01  0.886338D+00  0.159184D+00  0.252223D+01  0.209669D+01
      2  -0.946012D-02 -0.242383D+01 -0.128439D+00 -0.288894D+01 -0.549645D+01
      3   0.114202D+01 -0.816817D+00  0.125534D+01  0.101840D+01  0.288018D+01
                61            62            63            64            65 
      1  -0.471475D+00  0.514311D+01  0.951549D+01 -0.196933D+01  0.152012D+01
      2  -0.239444D+01 -0.249255D+01 -0.180219D+02 -0.300737D+00  0.124656D+01
      3  -0.968861D+00  0.392256D+01  0.266600D+01 -0.669168D+01  0.595122D+01
                66            67            68            69            70 
      1   0.162593D+01  0.137460D+01 -0.565653D+01 -0.297003D+01  0.691453D+00
      2  -0.873291D+00  0.129892D+01 -0.254867D+01  0.201198D+01 -0.148347D+01
      3   0.215880D+00  0.809186D+01 -0.209683D+02  0.137000D+01  0.912741D+00
                71            72            73            74            75 
      1   0.373873D+00  0.269550D+00 -0.481881D+00 -0.837333D+00 -0.184119D+01
      2   0.139435D+01 -0.139060D+01  0.743992D+01  0.781850D+00  0.638250D+01
      3   0.659383D+00 -0.250051D+01  0.915928D+01 -0.469916D+01  0.475906D+00
                76            77            78            79            80 
      1  -0.678656D+00 -0.663452D+00 -0.390913D+00 -0.130667D+01  0.694741D+00
      2   0.119203D+01  0.569798D+00 -0.447579D+00  0.237420D+01 -0.384857D+00
      3  -0.760900D+00 -0.186782D+01 -0.205061D+00  0.246337D+00 -0.975935D+00
                81            82            83            84            85 
      1   0.230801D-01 -0.120166D+01 -0.587678D-01  0.200268D+01 -0.104795D+01
      2   0.651539D+00  0.247530D+01 -0.125057D+00 -0.667746D+00  0.346630D+01
      3   0.162467D+01  0.648981D+01 -0.105754D+01  0.180087D+01  0.538821D+01
                86            87            88            89            90 
      1  -0.113676D+00 -0.224398D+01  0.575845D+01  0.262819D+01  0.262560D+00
      2   0.118348D+01  0.706624D+00 -0.128122D+02  0.534041D+00 -0.545910D+00
      3  -0.549670D+01  0.433602D+00  0.178856D+01 -0.122455D+01 -0.566027D+01
                91            92            93            94            95 
      1   0.144161D+01  0.747014D+00 -0.125265D+01  0.899703D+00 -0.833476D-01
      2  -0.166118D+00  0.120092D+01  0.639035D+00  0.103309D+01 -0.273167D+01
      3  -0.347847D+01 -0.107745D+02 -0.201302D+01  0.536725D+01 -0.158211D+01
                96            97            98            99           100 
      1  -0.214576D+01 -0.562552D+01  0.158889D+01 -0.988074D+00  0.609477D-01
      2   0.408869D+01 -0.765257D+01  0.968924D+01  0.364197D+01 -0.824266D-01
      3   0.166287D+01 -0.152712D+00  0.186134D+01 -0.503613D+01  0.563066D+00
               101           102           103           104           105 
      1  -0.101658D+01 -0.448585D+00 -0.998201D+00 -0.259818D+01  0.117514D+01
      2   0.879957D-01  0.619217D+01 -0.353256D+01  0.350021D-01 -0.430795D+00
      3  -0.664794D+01 -0.904347D-01  0.124014D+02  0.342164D+01  0.167899D+01
               106           107           108           109           110 
      1  -0.873460D+00  0.116184D+02  0.202673D+01 -0.132315D+01  0.403728D-01
      2   0.798455D+01  0.598002D+00  0.182103D+01 -0.609442D+00  0.244626D+01
      3   0.358701D+01  0.101498D+01  0.833963D+00 -0.194586D+01 -0.134224D+02
               111           112           113           114           115 
      1   0.199098D+01 -0.160585D+01  0.388173D+00 -0.194170D+01  0.675644D+01
      2   0.218474D+01 -0.973135D+00  0.280744D+01 -0.400426D+01 -0.564411D+01
      3  -0.219572D+01  0.438789D+01 -0.185266D+01 -0.187648D+01 -0.643132D+00
               116           117           118           119           120 
      1   0.258868D+01  0.164052D+01  0.245605D+00  0.850651D+00 -0.156042D+01
      2  -0.103679D+02 -0.255296D+01  0.318310D+01  0.148421D+01 -0.565637D+00
      3  -0.415230D+01  0.403718D+01  0.951787D+00 -0.182211D+01 -0.191762D+01
               121           122           123           124           125 
      1   0.162406D+01 -0.876841D+00 -0.215430D+01 -0.586639D+01  0.237964D+01
      2   0.152791D+01 -0.149980D+01 -0.129075D+01 -0.135197D+02 -0.112268D+01
      3   0.439369D-01  0.791211D+01  0.189525D+00 -0.430198D+01 -0.613867D+00
               126           127           128           129           130 
      1  -0.124122D+01  0.387119D+00 -0.425077D+00  0.159810D+01  0.278722D+00
      2  -0.327341D+01  0.121879D+01 -0.391499D+00  0.134417D+00 -0.420303D+00
      3   0.597421D+01 -0.926395D+01  0.427405D+01  0.146021D-01  0.758208D+01
               131           132           133           134           135 
      1  -0.110085D-01 -0.325119D+01 -0.551040D+00  0.171777D+01  0.148024D+00
      2   0.989909D+00 -0.765666D+00 -0.137520D+01  0.366217D+00 -0.108893D+00
      3  -0.669010D+01 -0.813929D+00 -0.594283D+00  0.259267D+00  0.125634D+00
               136           137           138           139           140 
      1  -0.228977D+00 -0.156830D-01 -0.193412D+01 -0.888873D-01  0.544880D+00
      2   0.555671D+00  0.853280D+00  0.207505D+01  0.687057D+00  0.263383D+01
      3  -0.103958D+01 -0.310535D+01 -0.520411D+00 -0.217039D+01 -0.132267D+02
               141           142           143           144           145 
      1  -0.397707D+01  0.561347D+00  0.172018D+01 -0.512969D+00 -0.945479D-01
      2   0.342191D+01 -0.335534D+00 -0.699746D-01  0.649369D+00  0.191036D+01
      3  -0.227428D+01 -0.488246D+00 -0.264820D+01 -0.403164D+00  0.194123D+00
               146           147           148           149           150 
      1   0.440441D+00 -0.202646D+00  0.251683D+00 -0.665180D-02 -0.298751D+00
      2  -0.112845D+00  0.628696D+01  0.117915D+01  0.338520D+00  0.377949D+00
      3  -0.517514D+01  0.205380D+00 -0.395854D+01 -0.278931D+00 -0.431903D+00
               151           152           153           154           155 
      1   0.500881D-01  0.452462D+00 -0.184420D-01  0.294499D+00 -0.611420D+00
      2  -0.210789D+01  0.811313D-01  0.679857D+00  0.320763D+00 -0.378111D+00
      3  -0.113068D+01 -0.521295D+00 -0.273675D+00  0.117444D+01 -0.433172D+01
               156           157           158           159           160 
      1   0.205221D+01  0.212631D+00  0.211562D+00 -0.360290D+01 -0.795708D+00
      2   0.230903D+01  0.401010D+00 -0.946504D+00 -0.319567D+01 -0.521622D+00
      3  -0.373559D-01 -0.315537D+01  0.121817D+02  0.103661D+01 -0.698660D+00
               161           162           163           164           165 
      1   0.135576D+01 -0.307670D+00  0.564811D+00  0.299043D+00 -0.161529D+01
      2   0.439953D+00 -0.292478D+00 -0.164718D+01 -0.104882D+01  0.200983D+00
      3   0.185877D+01  0.408429D+00  0.744935D+01  0.440764D+01  0.902562D+00
               166           167           168           169           170 
      1   0.594366D+00  0.989910D+00 -0.362003D+01  0.501902D+00  0.221382D+01
      2  -0.169861D+01 -0.166339D+01  0.381860D+00 -0.176676D+01 -0.556935D+00
      3   0.757493D+01  0.797524D+01  0.183993D+01  0.176850D+01  0.236686D+01
               171 
      1  -0.489554D+00
      2   0.167832D+00
      3   0.197527D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.197800D+02 -0.452473D+01  0.305658D+01 -0.686510D+01  0.224820D+01
      2  -0.791260D+01 -0.108172D+01 -0.125844D+01 -0.851323D+00  0.882719D+01
      3  -0.118674D+02  0.560645D+01 -0.179814D+01  0.771642D+01 -0.110754D+02
      4  -0.161438D+02  0.178076D+02 -0.582674D+01  0.215360D+02 -0.184322D+02
      5   0.512361D+01 -0.503994D+01  0.759164D+01 -0.914762D+01  0.117783D+02
      6  -0.282463D+01  0.190013D+01 -0.268365D+01  0.373051D+01 -0.915131D+01
                 6             7             8             9            10 
      1   0.499587D+00  0.335097D+01  0.195803D+01  0.158766D+01  0.946896D+01
      2  -0.293698D+01 -0.196968D+01 -0.468968D+01 -0.729691D+01 -0.263080D+01
      3   0.243739D+01 -0.138129D+01  0.273166D+01  0.570924D+01 -0.683816D+01
      4   0.120073D+02 -0.104757D+02  0.147916D+02  0.400693D+01 -0.763544D+01
      5   0.516290D+01  0.662896D+01  0.356556D+01  0.237190D+02 -0.435965D+00
      6   0.380983D+01  0.117448D+01 -0.186507D+00 -0.136607D+02  0.148210D+01
                11            12            13            14            15 
      1   0.164978D+01 -0.159606D+01  0.367710D+01 -0.766875D+01  0.422674D+01
      2   0.133239D+01  0.899734D+00  0.446908D+01  0.381591D+01 -0.518843D+00
      3  -0.298217D+01  0.696321D+00 -0.814618D+01  0.385285D+01 -0.370789D+01
      4  -0.169436D+02  0.410684D+01 -0.275434D+02  0.410254D+01 -0.295808D+01
      5   0.445885D+01 -0.114397D+02  0.102955D+02 -0.295914D+01 -0.167877D+02
      6   0.239450D+01 -0.211941D+01  0.136806D+01  0.522803D+01 -0.946671D+01
                16            17            18            19            20 
      1   0.132990D+02  0.461554D+01 -0.478885D+00  0.346722D+01 -0.352050D+01
      2   0.121808D+01  0.341954D+01  0.889239D+01 -0.163384D+01  0.112790D+01
      3  -0.145171D+02 -0.803508D+01 -0.841351D+01 -0.183338D+01  0.239260D+01
      4   0.114750D+02  0.340257D+01 -0.183183D+02 -0.442346D+01  0.278702D+01
      5  -0.214117D+02 -0.169386D+02 -0.222147D+02 -0.226015D+01  0.175750D+01
      6  -0.112899D+02 -0.424783D+01 -0.471024D+01  0.140357D+01 -0.821481D-02
                21            22            23            24            25 
      1  -0.265267D+01 -0.395348D+01 -0.299664D+01 -0.134069D+01 -0.498490D+01
      2   0.642491D+00  0.396715D+00  0.581873D+01  0.315430D+01  0.216214D+01
      3   0.201018D+01  0.355677D+01 -0.282209D+01 -0.181361D+01  0.282276D+01
      4   0.244530D+01  0.653655D+01 -0.114975D+02 -0.608820D+01  0.847943D+01
      5   0.277045D+01  0.286687D+01 -0.559849D+01 -0.815295D+01  0.765024D+01
      6  -0.777457D+00 -0.173281D+01  0.480355D+01  0.716417D+01 -0.420368D+01
                26            27            28            29            30 
      1  -0.104225D+01 -0.278639D+01  0.494649D+01  0.128942D+01  0.424150D+01
      2   0.348320D+01  0.212796D+01 -0.642209D+01 -0.131774D+01 -0.459983D+01
      3  -0.244095D+01  0.658434D+00  0.147560D+01  0.283134D-01  0.358333D+00
      4  -0.145405D+02 -0.115166D+02  0.480199D+01  0.661077D+01  0.229969D+01
      5  -0.109913D+02 -0.210921D+02  0.100187D+02  0.229624D+01  0.125386D+02
      6   0.904527D+01  0.132467D+02  0.265114D+01  0.134154D+00  0.170216D+01
                31            32            33            34            35 
      1   0.116367D+01 -0.219287D+01 -0.324485D+01  0.251747D+01 -0.300562D+01
      2  -0.280949D+01 -0.417059D+00 -0.585886D+00 -0.878510D+01 -0.250197D+01
      3   0.164581D+01  0.260993D+01  0.383073D+01  0.626763D+01  0.550759D+01
      4   0.102553D+02  0.592332D+01  0.676665D+01  0.356020D+01  0.723227D+01
      5   0.401387D+01  0.640738D+01  0.103318D+02  0.192155D+02  0.863636D+01
      6   0.265064D+01  0.492057D+01  0.921410D+01  0.538962D+01  0.655820D+01
                36            37            38            39            40 
      1  -0.105647D+02 -0.577658D+02 -0.159349D+02 -0.135035D+01 -0.723004D+01
      2  -0.144878D+02  0.243619D+02  0.147457D+02  0.388085D+01  0.630643D+01
      3   0.250526D+02  0.334039D+02  0.118916D+01 -0.253050D+01  0.923607D+00
      4   0.900788D+01 -0.179452D+02  0.121903D+02 -0.471710D+01  0.179956D+02
      5   0.329660D+02 -0.247972D+01 -0.228991D+01  0.100911D+02 -0.844067D+01
      6   0.107339D+02 -0.392964D+01 -0.588713D+01  0.383487D+01 -0.624593D+01
                41            42            43            44            45 
      1   0.206462D+02  0.198584D+01 -0.130621D+02 -0.564432D+00  0.121806D+02
      2  -0.224973D+02  0.628318D+01  0.643488D+01  0.398993D+01  0.790322D+01
      3   0.185116D+01 -0.826902D+01  0.662724D+01 -0.342550D+01 -0.200838D+02
      4  -0.839514D+01 -0.245565D+01 -0.160782D+02 -0.448962D+01  0.184957D+02
      5  -0.553448D+01  0.150954D+02  0.147475D+02  0.153969D+02  0.175148D+02
      6  -0.452941D+00  0.647864D+01  0.820458D+01  0.632807D+01 -0.146564D+01
                46            47            48            49            50 
      1  -0.185662D+02 -0.150525D+00  0.165065D+00  0.152115D+01 -0.687749D+01
      2   0.558299D+01 -0.365831D+00 -0.214431D+00 -0.203026D+01  0.116211D+02
      3   0.129832D+02  0.516356D+00  0.493667D-01  0.509108D+00 -0.474357D+01
      4   0.132074D+02  0.607450D+01  0.504950D+00 -0.101230D+02 -0.171145D+01
      5  -0.726918D+00 -0.138389D-01  0.150724D+01 -0.341054D+01 -0.476333D+00
      6  -0.103136D+01  0.149751D+00  0.472126D+00 -0.198592D+01  0.253262D+01
                51            52            53            54            55 
      1  -0.100216D+00 -0.754976D+01 -0.103950D+01 -0.954019D+01  0.391195D+01
      2   0.375007D+01  0.165088D+01  0.150991D+01 -0.409849D+01 -0.411623D+01
      3  -0.364985D+01  0.589889D+01 -0.470412D+00  0.136387D+02  0.204281D+00
      4  -0.114120D+01 -0.313203D+01 -0.179258D+01  0.324712D+01  0.644784D+00
      5   0.194497D+01  0.312505D+01  0.246698D+01  0.102082D+00 -0.265514D+01
      6  -0.144445D+01 -0.707554D+00  0.468363D+01 -0.345028D+01  0.998288D-01
                56            57            58            59            60 
      1   0.791557D+00 -0.625624D+01 -0.237002D+01 -0.471595D+01 -0.228147D+01
      2  -0.127694D+01  0.652177D+00  0.207690D+01  0.100025D+01 -0.558866D+01
      3   0.485382D+00  0.560406D+01  0.293124D+00  0.371570D+01  0.787013D+01
      4  -0.203405D+01 -0.382743D+00 -0.229816D+00 -0.343990D+01 -0.527153D+01
      5   0.972489D+00  0.328917D+00  0.414069D+01 -0.401519D+01 -0.100565D+02
      6   0.162996D+01 -0.106587D+01 -0.113666D+00  0.208953D+01  0.363071D+01
                61            62            63            64            65 
      1  -0.560737D+01 -0.892779D+00 -0.165698D+02 -0.150252D+01  0.943712D+01
      2   0.437919D+01 -0.407003D+01 -0.172831D+02  0.437491D+01 -0.989563D+01
      3   0.122818D+01  0.496280D+01  0.338529D+02 -0.287239D+01  0.458509D+00
      4  -0.197141D+01 -0.724651D+01 -0.551207D+01  0.141296D+01 -0.255450D+01
      5   0.810668D+01 -0.313552D+01 -0.308566D+02  0.181964D+01 -0.356122D+00
      6   0.764522D+00  0.418178D+01 -0.695230D+01 -0.101515D+00  0.291502D+01
                66            67            68            69            70 
      1  -0.984123D+00  0.937001D+01 -0.248832D+02  0.227651D+01  0.168359D+01
      2  -0.981705D-01 -0.660309D+01  0.375501D+02 -0.143334D+01 -0.896860D+00
      3   0.108229D+01 -0.276692D+01 -0.126668D+02 -0.843172D+00 -0.786733D+00
      4   0.123814D+01  0.403341D+01  0.291287D+02 -0.281890D+01  0.226413D+01
      5  -0.196759D+01 -0.297701D+01 -0.611563D+00  0.402736D+01  0.252106D+00
      6  -0.263382D+01  0.668006D+00 -0.100251D+02  0.621715D+01 -0.138275D+01
                71            72            73            74            75 
      1   0.200277D+01 -0.548743D+01  0.858051D+02  0.111002D+02  0.203767D+01
      2  -0.522879D+00  0.291845D+01 -0.412305D+02 -0.276678D+01  0.642661D+00
      3  -0.147990D+01  0.256898D+01 -0.445746D+02 -0.833341D+01 -0.268033D+01
      4  -0.380393D+00  0.160614D+01  0.323450D+02  0.154077D+02 -0.228904D+00
      5   0.223150D+01 -0.209532D+01 -0.101298D+02 -0.199841D+01  0.106323D+02
      6   0.645797D+01 -0.133455D+01 -0.844769D+00 -0.155961D+01  0.338932D+01
                76            77            78            79            80 
      1   0.189523D+01  0.520870D+01  0.205069D+00  0.106524D+02  0.105411D+01
      2   0.171035D+01  0.387295D+00 -0.568889D+00 -0.435057D+01 -0.144237D+00
      3  -0.360558D+01 -0.559600D+01  0.363820D+00 -0.630187D+01 -0.909875D+00
      4   0.126730D+02  0.700098D+01  0.560214D+00  0.489962D+01  0.326161D+01
      5   0.601662D+00 -0.165925D+00 -0.727594D+00  0.101153D+02  0.311071D+00
      6  -0.752540D+00 -0.632094D+00  0.824133D+00  0.294873D+01  0.771425D+00
                81            82            83            84            85 
      1   0.625327D+01  0.530202D+01  0.135043D+02  0.434258D+01 -0.305526D+01
      2  -0.529186D+01 -0.544223D+01 -0.965285D+01 -0.154352D+01  0.119629D+02
      3  -0.961410D+00  0.140211D+00 -0.385150D+01 -0.279906D+01 -0.890765D+01
      4   0.120600D+01  0.576996D+01 -0.123644D+02 -0.177858D+00  0.243207D+01
      5   0.469348D+00  0.192535D+01 -0.484635D+00 -0.687003D+00  0.198179D+01
      6   0.688838D+00  0.299347D+01 -0.308888D+01 -0.439161D+01  0.547739D+01
                86            87            88            89            90 
      1   0.329424D+01  0.218409D+01  0.676022D+00  0.418481D+01 -0.146783D+02
      2  -0.808250D+01 -0.184029D+01  0.251403D+01 -0.574442D+01  0.348733D+01
      3   0.478827D+01 -0.343795D+00 -0.319005D+01  0.155961D+01  0.111910D+02
      4   0.144360D+02  0.202814D+01  0.261194D+00 -0.162171D+01  0.282315D+01
      5   0.193605D+01  0.685166D-02  0.423822D+01  0.293185D+01 -0.183453D+01
      6  -0.287666D+01  0.542990D+01 -0.333977D+01  0.146653D+02  0.374006D+00
                91            92            93            94            95 
      1   0.375899D+01 -0.198929D+02 -0.193252D+01  0.253473D+02  0.102681D+02
      2  -0.411190D+01  0.128273D+02  0.836706D+00 -0.230720D+02 -0.139898D+02
      3   0.352912D+00  0.706557D+01  0.109581D+01 -0.227534D+01  0.372165D+01
      4  -0.108803D+02 -0.581344D+01 -0.536330D+01  0.536195D+01 -0.658096D+01
      5  -0.437166D+01 -0.494463D+01 -0.768862D+00 -0.189687D+00 -0.561323D+01
      6  -0.573916D+01 -0.249712D+01  0.331001D+01 -0.470201D+01 -0.867438D+01
                96            97            98            99           100 
      1   0.270174D+01  0.249197D+01 -0.309669D+01 -0.472686D+01 -0.126537D+02
      2  -0.543186D+01 -0.656364D+01 -0.491442D+01 -0.507368D+01  0.875043D+01
      3   0.273012D+01  0.407167D+01  0.801111D+01  0.980054D+01  0.390323D+01
      4  -0.540056D+01 -0.513929D+01 -0.973800D+01  0.149736D+02 -0.205627D+01
      5   0.880588D+01  0.129937D+02  0.154201D+02  0.739895D+01 -0.819069D+01
      6   0.368914D+01  0.641947D+01  0.135912D+02  0.313002D+01  0.121644D+01
               101           102           103           104           105 
      1  -0.817103D+00 -0.687180D+01  0.385003D+01 -0.205885D+02 -0.623520D+01
      2   0.621282D+00  0.413059D+01 -0.197836D+01  0.171989D+02  0.756440D+01
      3   0.195821D+00  0.274121D+01 -0.187166D+01  0.338965D+01 -0.132920D+01
      4   0.227825D+02  0.132789D+01 -0.186947D+02 -0.604453D+01 -0.352834D+01
      5   0.121954D+01  0.138229D+02 -0.965657D+01 -0.250199D+01 -0.136995D+01
      6   0.957920D+00  0.112459D+01 -0.297264D+01  0.286742D+01 -0.257610D+01
               106           107           108           109           110 
      1  -0.101473D+02 -0.661923D+01  0.148197D+02  0.381404D+01  0.210140D+02
      2   0.412224D+01  0.560427D+01 -0.177073D+02 -0.649298D+01 -0.121848D+02
      3   0.602502D+01  0.101496D+01  0.288753D+01  0.267894D+01 -0.882924D+01
      4  -0.104788D+02  0.865601D+00 -0.673965D+00  0.183543D+02  0.861535D+00
      5   0.347086D+02  0.404482D+00  0.505883D+01  0.226723D+00  0.380526D+01
      6   0.212295D+00  0.413181D+01 -0.299172D+01  0.209767D+01 -0.284170D+01
               111           112           113           114           115 
      1   0.461950D+01 -0.247231D+02  0.612684D+01  0.668864D+00 -0.708972D+01
      2  -0.491156D+00  0.234584D+02 -0.111230D+02 -0.859519D+00  0.796266D+01
      3  -0.412835D+01  0.126470D+01  0.499613D+01  0.190655D+00 -0.872943D+00
      4   0.429615D+01  0.423931D+01  0.136500D+02  0.791734D+01  0.211042D+01
      5   0.469558D+01 -0.395663D+01  0.707403D+01 -0.825039D+01  0.174162D+02
      6  -0.494106D+01  0.608265D+01 -0.496531D+01  0.496314D+01 -0.789588D+01
               116           117           118           119           120 
      1   0.603498D+01  0.514232D+00  0.599483D+01 -0.112783D+02  0.191719D+00
      2  -0.814258D+01 -0.623928D+01 -0.524962D+01  0.930143D+01 -0.106604D+01
      3   0.210760D+01  0.572505D+01 -0.745214D+00  0.197691D+01  0.874326D+00
      4   0.741882D+01 -0.152945D+02 -0.107054D+02 -0.175783D+02 -0.388366D+01
      5  -0.154587D+02 -0.629632D+01 -0.352873D-01 -0.370634D+01 -0.317005D+01
      6   0.130565D+02 -0.165659D+01 -0.280353D+01 -0.206427D+01  0.349806D+01
               121           122           123           124           125 
      1   0.299110D+01  0.806983D+01  0.490165D+01  0.182219D+01  0.192142D+01
      2  -0.104306D+02 -0.109169D+02 -0.602047D+01 -0.449486D+01 -0.733463D+01
      3   0.743949D+01  0.284708D+01  0.111882D+01  0.267267D+01  0.541321D+01
      4   0.115154D+02 -0.129242D+02 -0.189788D+01  0.167934D+00 -0.460233D+01
      5   0.208063D+00 -0.208640D+01 -0.622123D+00 -0.883808D-01 -0.476601D+01
      6  -0.521818D+01 -0.935678D+01  0.249451D+01  0.372647D+01  0.122298D+02
               126           127           128           129           130 
      1  -0.151283D+02 -0.456664D+01  0.774976D+01  0.180231D+00  0.854464D+01
      2   0.106833D+01  0.673290D+01 -0.108692D+02 -0.268274D+00 -0.117653D+02
      3   0.140599D+02 -0.216625D+01  0.311948D+01  0.880433D-01  0.322067D+01
      4  -0.596435D+01 -0.761550D+01  0.750704D+01  0.643722D+00  0.738008D+01
      5  -0.543691D+01 -0.591626D+00  0.866512D+00  0.672347D+00  0.881303D+00
      6   0.541398D+01 -0.104651D+00  0.164752D-01 -0.176836D+01 -0.972443D+00
               131           132           133           134           135 
      1  -0.255208D+02 -0.184926D+01  0.198803D+00 -0.166177D+01 -0.843346D+00
      2   0.348610D+02  0.157300D+01 -0.580974D+00  0.230864D+01  0.133074D+01
      3  -0.934019D+01  0.276256D+00  0.382170D+00 -0.646871D+00 -0.487397D+00
      4  -0.736528D+01 -0.470722D+00  0.932996D-01  0.649520D-01 -0.136154D+01
      5  -0.100178D+01 -0.830250D+00  0.508283D+00 -0.707842D+00  0.261640D-01
      6   0.238092D+01  0.515580D+01 -0.548308D+00  0.181983D+01  0.385655D+00
               136           137           138           139           140 
      1   0.850183D+01  0.699943D+01  0.134922D+01  0.866319D+00 -0.103414D+02
      2   0.209258D+01  0.428618D+01 -0.638209D-03  0.110514D+02  0.318607D+02
      3  -0.105944D+02 -0.112856D+02 -0.134859D+01 -0.119177D+02 -0.215194D+02
      4   0.230111D+02  0.261437D+02  0.539237D+01  0.276261D+02  0.483026D+02
      5   0.498592D+01  0.525773D+01  0.522296D+01  0.516878D+01  0.830111D+01
      6   0.365293D+01  0.402612D+01  0.324964D+01  0.515297D+01  0.106732D+02
               141           142           143           144           145 
      1  -0.211749D+01  0.103913D+01 -0.122909D+01 -0.135360D+01  0.101610D+03
      2   0.396311D+01  0.142477D+01  0.475938D+01  0.218343D+01 -0.585146D+02
      3  -0.184562D+01 -0.246389D+01 -0.353030D+01 -0.829830D+00 -0.430955D+02
      4   0.867470D+01  0.668105D+01  0.101178D+02  0.380454D+01  0.358443D+01
      5   0.605689D+01  0.242636D+01  0.328555D+01  0.212944D+01  0.128395D+02
      6   0.807394D+01  0.238171D+01  0.484587D+01  0.279500D+01 -0.206055D+01
               146           147           148           149           150 
      1   0.294353D+01  0.849669D+01  0.157306D+01  0.961960D+01  0.123604D+01
      2  -0.148503D+01 -0.586345D+01 -0.726445D+00 -0.491993D+01 -0.109697D+01
      3  -0.145851D+01 -0.263324D+01 -0.846616D+00 -0.469967D+01 -0.139070D+00
      4   0.838277D+01  0.171174D-01  0.151872D+02  0.115198D+01  0.143757D+01
      5   0.970391D-01  0.110158D+02  0.241135D+01  0.152061D+01  0.613863D+00
      6   0.547991D+00 -0.201519D-01  0.110892D+01 -0.223332D+00  0.154532D+01
               151           152           153           154           155 
      1   0.111385D+02  0.147680D+01  0.429867D+01  0.154781D+02 -0.107339D+02
      2  -0.676411D+01 -0.958574D+00 -0.295077D+01 -0.331820D+00 -0.332196D+01
      3  -0.437442D+01 -0.518224D+00 -0.134790D+01 -0.151463D+02  0.140558D+02
      4   0.251057D+01  0.121211D+01  0.585477D+00 -0.294849D+02  0.299713D+02
      5   0.490575D+01  0.417466D+00  0.254682D+01 -0.350947D+01  0.261218D+01
      6   0.990548D-01  0.774036D+00  0.259692D+00  0.112026D+01 -0.927354D+00
               156           157           158           159           160 
      1  -0.137717D+01 -0.534550D+01 -0.181009D+01  0.551177D-01  0.446684D+00
      2   0.339869D+00 -0.949173D+01  0.239758D+02  0.120391D+01 -0.147151D+01
      3   0.103730D+01  0.148372D+02 -0.221657D+02 -0.125903D+01  0.102483D+01
      4   0.244591D+01  0.326468D+02 -0.482685D+02 -0.539481D+01  0.317815D+01
      5   0.495906D+01  0.453217D+01 -0.597460D+01 -0.548957D+01  0.201608D+01
      6  -0.282067D+01 -0.287403D+01  0.441571D+01  0.607394D+01 -0.170284D+01
               161           162           163           164           165 
      1  -0.101246D+01 -0.814800D+00 -0.510073D+01 -0.753987D+01 -0.285463D+01
      2   0.275652D+01  0.143960D+01  0.635146D+01  0.893307D+01  0.197628D+01
      3  -0.174406D+01 -0.624804D+00 -0.125073D+01 -0.139320D+01  0.878352D+00
      4  -0.511879D+01 -0.300579D+01  0.532331D+01  0.719396D+01  0.135339D+01
      5  -0.218335D+01 -0.979494D+00  0.550834D+00  0.981651D+00  0.152974D+01
      6   0.307685D+01  0.138091D+01  0.272238D+01  0.420228D+01  0.264130D+01
               166           167           168           169           170 
      1  -0.830038D+01 -0.288409D+02 -0.743286D+01 -0.227827D+01 -0.674542D+01
      2   0.104129D+02  0.369395D+02  0.671130D+01  0.260583D+01  0.753124D+01
      3  -0.211254D+01 -0.809856D+01  0.721561D+00 -0.327568D+00 -0.785817D+00
      4   0.593510D+01  0.252855D+01  0.137894D+00  0.159447D+01  0.116317D+01
      5   0.676696D+00 -0.478404D+00  0.241038D+00  0.120846D+01  0.678316D+00
      6   0.343492D+01  0.119376D+02  0.806830D+01  0.131462D+01  0.464914D+01
               171 
      1  -0.291183D+01
      2   0.284734D+01
      3   0.644873D-01
      4   0.189069D+01
      5   0.978446D+00
      6   0.330461D+01
 Leave Link  716 at Thu Aug 12 20:56:22 2021, MaxMem=  5368709120 cpu:               4.7 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.128763D+03  0.156488D+01  0.210390D+01
      2   0.156488D+01  0.106432D+03  0.549117D+01
      3   0.210390D+01  0.549117D+01  0.693455D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.668539D+00  0.455413D+00  0.692538D+01
      2   0.102567D+02  0.932496D+01 -0.306358D+01
      3  -0.610370D+01 -0.397856D+02 -0.885443D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.950833D+02  0.509288D+01  0.847793D+01
      2  -0.407981D+02 -0.133681D+02 -0.129996D+02
      3  -0.542853D+02  0.827520D+01  0.452172D+01
      4  -0.274737D+02  0.700446D+02  0.220627D+02
      5   0.284028D+02  0.235905D+02 -0.108381D+02
      6   0.909041D+01  0.103491D+02 -0.150359D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.298193D+01  0.232772D+01 -0.716295D+00  0.751827D+00 -0.225117D+01
      2   0.232772D+01 -0.135934D+01  0.104807D+01 -0.225117D+01  0.236359D+01
      3  -0.716295D+00  0.104807D+01  0.757324D-02  0.140619D+01 -0.237874D+01
                 6             7             8             9            10 
      1   0.140619D+01 -0.194998D+01  0.160180D+01 -0.369457D+00  0.536125D+01
      2  -0.237874D+01  0.160180D+01 -0.289380D+01 -0.819061D+00  0.197948D+01
      3  -0.170095D+01 -0.369457D+00 -0.819061D+00 -0.478848D+01  0.160856D+00
                11            12            13            14            15 
      1   0.197948D+01  0.160856D+00  0.709255D+01  0.413082D+01 -0.139303D+01
      2   0.196263D+01 -0.107732D+01  0.413082D+01  0.363503D-01  0.768142D+00
      3  -0.107732D+01  0.138093D+01 -0.139303D+01  0.768142D+00  0.438753D+01
                16            17            18            19            20 
      1  -0.103452D+00 -0.160008D+01  0.408505D+01 -0.600280D+00  0.492192D+00
      2  -0.160008D+01 -0.345491D+00  0.348366D+01  0.492192D+00 -0.530314D+00
      3   0.408505D+01  0.348366D+01  0.541862D+01  0.329434D+00 -0.239123D+00
                21            22            23            24            25 
      1   0.329434D+00  0.125054D+01 -0.923287D+00 -0.521426D+00  0.209668D+01
      2  -0.239123D+00 -0.923287D+00  0.246109D+01  0.115980D+01 -0.123813D+01
      3  -0.470643D+00 -0.521426D+00  0.115980D+01  0.173114D+01 -0.136756D+01
                26            27            28            29            30 
      1  -0.123813D+01 -0.136756D+01 -0.240287D+01 -0.791144D+00 -0.172715D+01
      2   0.296357D+01  0.229057D+01 -0.791144D+00 -0.663515D+00 -0.230694D+00
      3   0.229057D+01  0.445995D+01 -0.172715D+01 -0.230694D+00 -0.151132D+01
                31            32            33            34            35 
      1  -0.301784D+01 -0.172625D+01 -0.666356D+00 -0.450698D+01 -0.592328D+00
      2  -0.172625D+01 -0.126393D+01 -0.148216D+01 -0.592328D+00 -0.158696D+01
      3  -0.666356D+00 -0.148216D+01 -0.240490D+01 -0.306859D+01 -0.192256D+01
                36            37            38            39            40 
      1  -0.306859D+01  0.874028D+01  0.940719D+00  0.155290D+01 -0.306318D+01
      2  -0.192256D+01  0.940719D+00 -0.289047D+01  0.853134D+00 -0.359594D+01
      3  -0.771756D+01  0.155290D+01  0.853134D+00 -0.169025D+01  0.161352D+01
                41            42            43            44            45 
      1  -0.359594D+01  0.161352D+01  0.557159D+01  0.229776D+01 -0.209863D+01
      2   0.316744D+01  0.351836D+00  0.229776D+01  0.897669D+00 -0.293332D+01
      3   0.351836D+00 -0.321411D+01 -0.209863D+01 -0.293332D+01 -0.458325D+01
                46            47            48            49            50 
      1  -0.180729D+02 -0.275066D+01 -0.577112D+00 -0.343669D+01  0.184765D+01
      2  -0.275066D+01 -0.269450D+01 -0.115557D+00  0.184765D+01 -0.100656D+00
      3  -0.577112D+00 -0.115557D+00 -0.168228D+01  0.102715D+01  0.706911D-02
                51            52            53            54            55 
      1   0.102715D+01 -0.702849D+00  0.954998D+00 -0.376767D+01 -0.441653D+00
      2   0.706911D-02  0.954998D+00  0.792513D-02 -0.654441D+00  0.167618D+00
      3  -0.346146D+00 -0.376767D+01 -0.654441D+00 -0.157407D+01  0.614133D+00
                56            57            58            59            60 
      1   0.167618D+00  0.614133D+00  0.104075D+01  0.173763D+00 -0.520772D+00
      2   0.606492D+00 -0.125021D+00  0.173763D+00  0.497898D+00  0.107859D+01
      3  -0.125021D+00  0.110455D+01 -0.520772D+00  0.107859D+01  0.224370D+01
                61            62            63            64            65 
      1   0.107871D+01  0.741868D-01 -0.659863D+00  0.647685D+00 -0.874242D+00
      2   0.741868D-01  0.139909D+01  0.679500D+00 -0.874242D+00  0.167936D+01
      3  -0.659863D+00  0.679500D+00  0.727415D+01 -0.306746D+00 -0.385586D+00
                66            67            68            69            70 
      1  -0.306746D+00 -0.176342D+01  0.519271D+00  0.116939D+00 -0.650231D+00
      2  -0.385586D+00  0.519271D+00 -0.748558D+01  0.682223D+00 -0.296051D+00
      3   0.658890D+00  0.116939D+00  0.682223D+00 -0.106522D+01  0.216398D+00
                71            72            73            74            75 
      1  -0.296051D+00  0.216398D+00 -0.139971D+02 -0.239335D+01  0.142416D+00
      2   0.273917D+00 -0.744302D+00 -0.239335D+01 -0.138704D+01  0.154988D+00
      3  -0.744302D+00  0.631785D+00  0.142416D+00  0.154988D+00 -0.123476D+01
                76            77            78            79            80 
      1  -0.531998D+00 -0.118472D+01 -0.222579D+00 -0.243505D+01 -0.524787D+00
      2  -0.118472D+01 -0.885578D+00 -0.694950D-01 -0.524787D+00 -0.571718D+00
      3  -0.222579D+00 -0.694950D-01  0.263402D+00 -0.107089D+01  0.650860D-01
                81            82            83            84            85 
      1  -0.107089D+01  0.515445D+01 -0.798855D+00  0.257933D+00  0.837790D+01
      2   0.650860D-01 -0.798855D+00 -0.299689D+01 -0.893304D+00  0.243725D+00
      3  -0.261387D-01  0.257933D+00 -0.893304D+00 -0.153821D+01  0.602269D-01
                86            87            88            89            90 
      1   0.243725D+00  0.602269D-01  0.273270D+01 -0.313139D+00 -0.181801D+01
      2   0.154436D+01 -0.478897D+00 -0.313139D+00 -0.127820D+01  0.360074D+01
      3  -0.478897D+00  0.174514D+01 -0.181801D+01  0.360074D+01  0.850523D+00
                91            92            93            94            95 
      1  -0.384640D+01 -0.314332D+00 -0.509183D+00  0.508621D+01 -0.143978D+00
      2  -0.314332D+00  0.262440D+01 -0.303102D+00 -0.143978D+00  0.952769D+00
      3  -0.509183D+00 -0.303102D+00  0.793804D+00 -0.189499D+00 -0.778390D+00
                96            97            98            99           100 
      1  -0.189499D+00  0.241324D+00 -0.927125D+00  0.216827D+01  0.563556D+01
      2  -0.778390D+00 -0.927125D+00 -0.706134D+00  0.372227D+01  0.294788D+00
      3   0.151253D+01  0.216827D+01  0.372227D+01  0.226812D+01 -0.604029D+00
               101           102           103           104           105 
      1   0.294788D+00 -0.604029D+00  0.971931D+00 -0.688065D+00 -0.108469D+01
      2   0.314707D+01  0.139213D+00 -0.688065D+00 -0.866309D-01 -0.322977D+00
      3   0.139213D+00  0.217353D+01 -0.108469D+01 -0.322977D+00 -0.104435D+00
               106           107           108           109           110 
      1  -0.430012D+00 -0.109527D+01  0.524479D+01 -0.302947D+01 -0.407140D-01
      2  -0.109527D+01  0.199003D+00  0.131257D+00 -0.407140D-01  0.235774D+01
      3   0.524479D+01  0.131257D+00  0.113719D+01 -0.442043D+00  0.819600D+00
               111           112           113           114           115 
      1  -0.442043D+00 -0.570390D+01 -0.572442D+00 -0.888377D+00 -0.190147D+01
      2   0.819600D+00 -0.572442D+00 -0.717159D+00  0.884843D+00 -0.189388D+00
      3   0.137972D+01 -0.888377D+00  0.884843D+00 -0.166608D+01  0.281871D+01
               116           117           118           119           120 
      1  -0.189388D+00  0.281871D+01  0.441304D+01  0.179770D+01  0.474789D+00
      2   0.159220D+01 -0.335232D+01  0.179770D+01 -0.273575D+01  0.710734D-01
      3  -0.335232D+01 -0.845592D+00  0.474789D+00  0.710734D-01 -0.876116D+00
               121           122           123           124           125 
      1  -0.703651D+01 -0.905271D+00  0.301305D+00 -0.103599D+00  0.899676D+00
      2  -0.905271D+00 -0.142234D+01  0.930583D+00  0.899676D+00  0.484379D+00
      3   0.301305D+00  0.930583D+00 -0.129088D+01 -0.975911D+00 -0.330051D+01
               126           127           128           129           130 
      1  -0.975911D+00 -0.285952D+01  0.209360D+01  0.232120D-01  0.233151D+01
      2  -0.330051D+01  0.209360D+01 -0.256834D+01 -0.985057D-01 -0.279789D+01
      3  -0.235058D+01  0.232120D-01 -0.985057D-01 -0.200180D+00 -0.224507D+00
               131           132           133           134           135 
      1  -0.279789D+01 -0.224507D+00 -0.286634D+00 -0.137241D-01  0.978268D-01
      2   0.713125D+01  0.439395D+00 -0.137241D-01  0.450410D+00  0.117543D+00
      3   0.439395D+00  0.739999D+00  0.978268D-01  0.117543D+00 -0.242595D-01
               136           137           138           139           140 
      1   0.294317D+01  0.304172D+01  0.743085D+00  0.279342D+01  0.416276D+01
      2   0.304172D+01  0.322681D+01  0.736849D+00  0.416276D+01  0.883871D+01
      3   0.743085D+00  0.736849D+00  0.587068D+00  0.829072D+00  0.164422D+01
               141           142           143           144           145 
      1   0.829072D+00  0.726229D+00  0.989916D+00  0.323577D+00  0.133519D+02
      2   0.164422D+01  0.989916D+00  0.180346D+01  0.469538D+00  0.385906D+00
      3   0.115235D+01  0.323577D+00  0.469538D+00  0.268873D+00  0.133699D+01
               146           147           148           149           150 
      1   0.385906D+00  0.133699D+01  0.273255D+00  0.159315D+01  0.297083D+00
      2   0.787641D+00  0.201512D-01  0.159315D+01  0.147012D+00  0.170593D+00
      3   0.201512D-01  0.103421D+01  0.297083D+00  0.170593D+00  0.804390D-01
               151           152           153           154           155 
      1   0.154804D+01  0.322721D+00  0.252714D+00  0.409729D+01 -0.361203D+01
      2   0.322721D+00  0.922410D-01  0.149272D-01 -0.361203D+01  0.358165D+01
      3   0.252714D+00  0.149272D-01  0.205991D+00 -0.320416D+00  0.259990D+00
               156           157           158           159           160 
      1  -0.320416D+00 -0.346069D+01  0.454507D+01  0.613693D+00 -0.260259D+00
      2   0.259990D+00  0.454507D+01 -0.769710D+01 -0.872497D+00  0.436336D+00
      3   0.503527D+00  0.613693D+00 -0.872497D+00 -0.874278D+00  0.126328D+00
               161           162           163           164           165 
      1   0.436336D+00  0.126328D+00 -0.211254D+01 -0.194612D+01 -0.432774D+00
      2  -0.978068D+00 -0.297016D+00 -0.194612D+01 -0.214762D+01 -0.634859D+00
      3  -0.297016D+00 -0.170018D+00 -0.432774D+00 -0.634859D+00 -0.420059D+00
               166           167           168           169           170 
      1  -0.195566D+01 -0.242719D+01 -0.553935D+00 -0.664741D+00 -0.787371D+00
      2  -0.242719D+01 -0.748151D+01 -0.173414D+01 -0.787371D+00 -0.180349D+01
      3  -0.553935D+00 -0.173414D+01 -0.118923D+01 -0.137077D+00 -0.551571D+00
               171 
      1  -0.137077D+00
      2  -0.551571D+00
      3  -0.435255D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.148495D+00 -0.351632D+00  0.670164D+00 -0.153640D+00  0.796325D-01
      2  -0.717140D+00 -0.264432D+00  0.424316D+01 -0.140661D+01  0.431172D+01
      3   0.263520D+01 -0.898551D+01  0.114400D+01  0.137809D+01  0.672321D+01
                 6             7             8             9            10 
      1  -0.656331D+00 -0.472680D+01  0.679258D+01  0.859513D+01 -0.243358D+01
      2   0.339604D+01 -0.100669D+01  0.434564D+01  0.116998D+02  0.180502D+01
      3  -0.566786D+01 -0.147844D-01 -0.647387D+01 -0.278321D+01  0.726331D+01
                11            12            13            14            15 
      1  -0.369196D-01  0.913789D+00 -0.118937D+01 -0.531225D+00  0.531217D+00
      2   0.172274D+01 -0.119703D+01  0.484408D+01  0.861232D+00 -0.706996D+01
      3   0.231722D+01 -0.364233D+00  0.139132D+02 -0.710805D+01  0.152309D+01
                16            17            18            19            20 
      1   0.482086D+01  0.517246D+01 -0.610773D+00 -0.484716D+00  0.406667D+00
      2  -0.159578D+02 -0.771735D+01 -0.835575D+01 -0.214442D+01  0.807490D+00
      3  -0.929000D+00 -0.140592D+01  0.676674D+01  0.264068D+01 -0.493874D+00
                21            22            23            24            25 
      1   0.604705D+00  0.105957D+01 -0.309051D+01 -0.409535D+01  0.331566D+01
      2   0.131687D+01  0.938325D+00 -0.339573D+01 -0.469376D+01  0.814370D+00
      3  -0.545440D-01  0.419827D+00  0.514396D+01  0.294037D+01 -0.756649D-01
                26            27            28            29            30 
      1  -0.312223D+01 -0.943829D+01 -0.694945D+00  0.112585D+01 -0.584785D+00
      2  -0.641393D+01 -0.115851D+02  0.162827D+01  0.386711D+00  0.295021D+01
      3   0.752737D+01  0.547605D+01 -0.175475D+01 -0.338987D+01 -0.340894D+00
                31            32            33            34            35 
      1   0.119729D+01  0.722458D+00 -0.976095D+00 -0.130448D+01  0.223522D+01
      2  -0.328993D+00  0.131270D+01  0.442126D+01  0.192022D+01  0.309183D+01
      3  -0.209438D+01 -0.131384D+01 -0.310392D+01 -0.935520D-01 -0.310817D+01
                36            37            38            39            40 
      1  -0.133463D+01  0.406478D+01 -0.222900D+01 -0.236547D+01  0.607368D+00
      2   0.126930D+02 -0.119161D+02 -0.398362D+01  0.648483D+01 -0.613704D+01
      3  -0.386942D+01 -0.826624D+01 -0.137237D+02  0.141196D+00 -0.823115D+01
                41            42            43            44            45 
      1   0.701555D+01 -0.684759D+01 -0.126394D+01 -0.270477D+01 -0.698259D+01
      2   0.113318D+00  0.764128D+01  0.188595D+01  0.731200D+01  0.127077D+02
      3   0.170257D+02 -0.377023D+00  0.201428D+01 -0.104262D+01 -0.659907D+01
                46            47            48            49            50 
      1   0.987319D+00 -0.898485D+00 -0.539737D+00 -0.354865D+01 -0.158854D+01
      2  -0.251218D-01 -0.195859D+01 -0.999231D+00 -0.194217D+01  0.517761D+00
      3  -0.791521D+01  0.632283D+01  0.701534D+00  0.169481D+02 -0.233101D+00
                51            52            53            54            55 
      1   0.695721D+00  0.111003D+01  0.103651D+02  0.219225D+01  0.101460D+01
      2   0.947315D+00 -0.127827D+02  0.490148D+00  0.364984D+00 -0.187645D+01
      3   0.245153D+00 -0.225869D+00  0.269620D+01 -0.984959D+00  0.105392D+01
                56            57            58            59            60 
      1   0.105074D+01  0.886338D+00  0.159184D+00  0.252223D+01  0.209669D+01
      2  -0.946012D-02 -0.242383D+01 -0.128439D+00 -0.288894D+01 -0.549645D+01
      3   0.114202D+01 -0.816817D+00  0.125534D+01  0.101840D+01  0.288018D+01
                61            62            63            64            65 
      1  -0.471475D+00  0.514311D+01  0.951549D+01 -0.196933D+01  0.152012D+01
      2  -0.239444D+01 -0.249255D+01 -0.180219D+02 -0.300737D+00  0.124656D+01
      3  -0.968861D+00  0.392256D+01  0.266600D+01 -0.669168D+01  0.595122D+01
                66            67            68            69            70 
      1   0.162593D+01  0.137460D+01 -0.565653D+01 -0.297003D+01  0.691453D+00
      2  -0.873291D+00  0.129892D+01 -0.254867D+01  0.201198D+01 -0.148347D+01
      3   0.215880D+00  0.809186D+01 -0.209683D+02  0.137000D+01  0.912741D+00
                71            72            73            74            75 
      1   0.373873D+00  0.269550D+00 -0.481881D+00 -0.837333D+00 -0.184119D+01
      2   0.139435D+01 -0.139060D+01  0.743992D+01  0.781850D+00  0.638250D+01
      3   0.659383D+00 -0.250051D+01  0.915928D+01 -0.469916D+01  0.475906D+00
                76            77            78            79            80 
      1  -0.678656D+00 -0.663452D+00 -0.390913D+00 -0.130667D+01  0.694741D+00
      2   0.119203D+01  0.569798D+00 -0.447579D+00  0.237420D+01 -0.384857D+00
      3  -0.760900D+00 -0.186782D+01 -0.205061D+00  0.246337D+00 -0.975935D+00
                81            82            83            84            85 
      1   0.230801D-01 -0.120166D+01 -0.587678D-01  0.200268D+01 -0.104795D+01
      2   0.651539D+00  0.247530D+01 -0.125057D+00 -0.667746D+00  0.346630D+01
      3   0.162467D+01  0.648981D+01 -0.105754D+01  0.180087D+01  0.538821D+01
                86            87            88            89            90 
      1  -0.113676D+00 -0.224398D+01  0.575845D+01  0.262819D+01  0.262560D+00
      2   0.118348D+01  0.706624D+00 -0.128122D+02  0.534041D+00 -0.545910D+00
      3  -0.549670D+01  0.433602D+00  0.178856D+01 -0.122455D+01 -0.566027D+01
                91            92            93            94            95 
      1   0.144161D+01  0.747014D+00 -0.125265D+01  0.899703D+00 -0.833476D-01
      2  -0.166118D+00  0.120092D+01  0.639035D+00  0.103309D+01 -0.273167D+01
      3  -0.347847D+01 -0.107745D+02 -0.201302D+01  0.536725D+01 -0.158211D+01
                96            97            98            99           100 
      1  -0.214576D+01 -0.562552D+01  0.158889D+01 -0.988074D+00  0.609477D-01
      2   0.408869D+01 -0.765257D+01  0.968924D+01  0.364197D+01 -0.824266D-01
      3   0.166287D+01 -0.152712D+00  0.186134D+01 -0.503613D+01  0.563066D+00
               101           102           103           104           105 
      1  -0.101658D+01 -0.448585D+00 -0.998201D+00 -0.259818D+01  0.117514D+01
      2   0.879957D-01  0.619217D+01 -0.353256D+01  0.350021D-01 -0.430795D+00
      3  -0.664794D+01 -0.904347D-01  0.124014D+02  0.342164D+01  0.167899D+01
               106           107           108           109           110 
      1  -0.873460D+00  0.116184D+02  0.202673D+01 -0.132315D+01  0.403728D-01
      2   0.798455D+01  0.598002D+00  0.182103D+01 -0.609442D+00  0.244626D+01
      3   0.358701D+01  0.101498D+01  0.833963D+00 -0.194586D+01 -0.134224D+02
               111           112           113           114           115 
      1   0.199098D+01 -0.160585D+01  0.388173D+00 -0.194170D+01  0.675644D+01
      2   0.218474D+01 -0.973135D+00  0.280744D+01 -0.400426D+01 -0.564411D+01
      3  -0.219572D+01  0.438789D+01 -0.185266D+01 -0.187648D+01 -0.643132D+00
               116           117           118           119           120 
      1   0.258868D+01  0.164052D+01  0.245605D+00  0.850651D+00 -0.156042D+01
      2  -0.103679D+02 -0.255296D+01  0.318310D+01  0.148421D+01 -0.565637D+00
      3  -0.415230D+01  0.403718D+01  0.951787D+00 -0.182211D+01 -0.191762D+01
               121           122           123           124           125 
      1   0.162406D+01 -0.876841D+00 -0.215430D+01 -0.586639D+01  0.237964D+01
      2   0.152791D+01 -0.149980D+01 -0.129075D+01 -0.135197D+02 -0.112268D+01
      3   0.439369D-01  0.791211D+01  0.189525D+00 -0.430198D+01 -0.613867D+00
               126           127           128           129           130 
      1  -0.124122D+01  0.387119D+00 -0.425077D+00  0.159810D+01  0.278722D+00
      2  -0.327341D+01  0.121879D+01 -0.391499D+00  0.134417D+00 -0.420303D+00
      3   0.597421D+01 -0.926395D+01  0.427405D+01  0.146021D-01  0.758208D+01
               131           132           133           134           135 
      1  -0.110085D-01 -0.325119D+01 -0.551040D+00  0.171777D+01  0.148024D+00
      2   0.989909D+00 -0.765666D+00 -0.137520D+01  0.366217D+00 -0.108893D+00
      3  -0.669010D+01 -0.813929D+00 -0.594283D+00  0.259267D+00  0.125634D+00
               136           137           138           139           140 
      1  -0.228977D+00 -0.156830D-01 -0.193412D+01 -0.888873D-01  0.544880D+00
      2   0.555671D+00  0.853280D+00  0.207505D+01  0.687057D+00  0.263383D+01
      3  -0.103958D+01 -0.310535D+01 -0.520411D+00 -0.217039D+01 -0.132267D+02
               141           142           143           144           145 
      1  -0.397707D+01  0.561347D+00  0.172018D+01 -0.512969D+00 -0.945479D-01
      2   0.342191D+01 -0.335534D+00 -0.699746D-01  0.649369D+00  0.191036D+01
      3  -0.227428D+01 -0.488246D+00 -0.264820D+01 -0.403164D+00  0.194123D+00
               146           147           148           149           150 
      1   0.440441D+00 -0.202646D+00  0.251683D+00 -0.665180D-02 -0.298751D+00
      2  -0.112845D+00  0.628696D+01  0.117915D+01  0.338520D+00  0.377949D+00
      3  -0.517514D+01  0.205380D+00 -0.395854D+01 -0.278931D+00 -0.431903D+00
               151           152           153           154           155 
      1   0.500881D-01  0.452462D+00 -0.184420D-01  0.294499D+00 -0.611420D+00
      2  -0.210789D+01  0.811313D-01  0.679857D+00  0.320763D+00 -0.378111D+00
      3  -0.113068D+01 -0.521295D+00 -0.273675D+00  0.117444D+01 -0.433172D+01
               156           157           158           159           160 
      1   0.205221D+01  0.212631D+00  0.211562D+00 -0.360290D+01 -0.795708D+00
      2   0.230903D+01  0.401010D+00 -0.946504D+00 -0.319567D+01 -0.521622D+00
      3  -0.373559D-01 -0.315537D+01  0.121817D+02  0.103661D+01 -0.698660D+00
               161           162           163           164           165 
      1   0.135576D+01 -0.307670D+00  0.564811D+00  0.299043D+00 -0.161529D+01
      2   0.439953D+00 -0.292478D+00 -0.164718D+01 -0.104882D+01  0.200983D+00
      3   0.185877D+01  0.408429D+00  0.744935D+01  0.440764D+01  0.902562D+00
               166           167           168           169           170 
      1   0.594366D+00  0.989910D+00 -0.362003D+01  0.501902D+00  0.221382D+01
      2  -0.169861D+01 -0.166339D+01  0.381860D+00 -0.176676D+01 -0.556935D+00
      3   0.757493D+01  0.797524D+01  0.183993D+01  0.176850D+01  0.236686D+01
               171 
      1  -0.489554D+00
      2   0.167832D+00
      3   0.197527D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.197800D+02 -0.452473D+01  0.305658D+01 -0.686510D+01  0.224820D+01
      2  -0.791260D+01 -0.108172D+01 -0.125844D+01 -0.851323D+00  0.882719D+01
      3  -0.118674D+02  0.560645D+01 -0.179814D+01  0.771642D+01 -0.110754D+02
      4  -0.161438D+02  0.178076D+02 -0.582674D+01  0.215360D+02 -0.184322D+02
      5   0.512361D+01 -0.503994D+01  0.759164D+01 -0.914762D+01  0.117783D+02
      6  -0.282463D+01  0.190013D+01 -0.268365D+01  0.373051D+01 -0.915131D+01
                 6             7             8             9            10 
      1   0.499587D+00  0.335097D+01  0.195803D+01  0.158766D+01  0.946896D+01
      2  -0.293698D+01 -0.196968D+01 -0.468968D+01 -0.729691D+01 -0.263080D+01
      3   0.243739D+01 -0.138129D+01  0.273166D+01  0.570924D+01 -0.683816D+01
      4   0.120073D+02 -0.104757D+02  0.147916D+02  0.400693D+01 -0.763544D+01
      5   0.516290D+01  0.662896D+01  0.356556D+01  0.237190D+02 -0.435965D+00
      6   0.380983D+01  0.117448D+01 -0.186507D+00 -0.136607D+02  0.148210D+01
                11            12            13            14            15 
      1   0.164978D+01 -0.159606D+01  0.367710D+01 -0.766875D+01  0.422674D+01
      2   0.133239D+01  0.899734D+00  0.446908D+01  0.381591D+01 -0.518843D+00
      3  -0.298217D+01  0.696321D+00 -0.814618D+01  0.385285D+01 -0.370789D+01
      4  -0.169436D+02  0.410684D+01 -0.275434D+02  0.410254D+01 -0.295808D+01
      5   0.445885D+01 -0.114397D+02  0.102955D+02 -0.295914D+01 -0.167877D+02
      6   0.239450D+01 -0.211941D+01  0.136806D+01  0.522803D+01 -0.946671D+01
                16            17            18            19            20 
      1   0.132990D+02  0.461554D+01 -0.478885D+00  0.346722D+01 -0.352050D+01
      2   0.121808D+01  0.341954D+01  0.889239D+01 -0.163384D+01  0.112790D+01
      3  -0.145171D+02 -0.803508D+01 -0.841351D+01 -0.183338D+01  0.239260D+01
      4   0.114750D+02  0.340257D+01 -0.183183D+02 -0.442346D+01  0.278702D+01
      5  -0.214117D+02 -0.169386D+02 -0.222147D+02 -0.226015D+01  0.175750D+01
      6  -0.112899D+02 -0.424783D+01 -0.471024D+01  0.140357D+01 -0.821481D-02
                21            22            23            24            25 
      1  -0.265267D+01 -0.395348D+01 -0.299664D+01 -0.134069D+01 -0.498490D+01
      2   0.642491D+00  0.396715D+00  0.581873D+01  0.315430D+01  0.216214D+01
      3   0.201018D+01  0.355677D+01 -0.282209D+01 -0.181361D+01  0.282276D+01
      4   0.244530D+01  0.653655D+01 -0.114975D+02 -0.608820D+01  0.847943D+01
      5   0.277045D+01  0.286687D+01 -0.559849D+01 -0.815295D+01  0.765024D+01
      6  -0.777457D+00 -0.173281D+01  0.480355D+01  0.716417D+01 -0.420368D+01
                26            27            28            29            30 
      1  -0.104225D+01 -0.278639D+01  0.494649D+01  0.128942D+01  0.424150D+01
      2   0.348320D+01  0.212796D+01 -0.642209D+01 -0.131774D+01 -0.459983D+01
      3  -0.244095D+01  0.658434D+00  0.147560D+01  0.283134D-01  0.358333D+00
      4  -0.145405D+02 -0.115166D+02  0.480199D+01  0.661077D+01  0.229969D+01
      5  -0.109913D+02 -0.210921D+02  0.100187D+02  0.229624D+01  0.125386D+02
      6   0.904527D+01  0.132467D+02  0.265114D+01  0.134154D+00  0.170216D+01
                31            32            33            34            35 
      1   0.116367D+01 -0.219287D+01 -0.324485D+01  0.251747D+01 -0.300562D+01
      2  -0.280949D+01 -0.417059D+00 -0.585886D+00 -0.878510D+01 -0.250197D+01
      3   0.164581D+01  0.260993D+01  0.383073D+01  0.626763D+01  0.550759D+01
      4   0.102553D+02  0.592332D+01  0.676665D+01  0.356020D+01  0.723227D+01
      5   0.401387D+01  0.640738D+01  0.103318D+02  0.192155D+02  0.863636D+01
      6   0.265064D+01  0.492057D+01  0.921410D+01  0.538962D+01  0.655820D+01
                36            37            38            39            40 
      1  -0.105647D+02 -0.577658D+02 -0.159349D+02 -0.135035D+01 -0.723004D+01
      2  -0.144878D+02  0.243619D+02  0.147457D+02  0.388085D+01  0.630643D+01
      3   0.250526D+02  0.334039D+02  0.118916D+01 -0.253050D+01  0.923607D+00
      4   0.900788D+01 -0.179452D+02  0.121903D+02 -0.471710D+01  0.179956D+02
      5   0.329660D+02 -0.247972D+01 -0.228991D+01  0.100911D+02 -0.844067D+01
      6   0.107339D+02 -0.392964D+01 -0.588713D+01  0.383487D+01 -0.624593D+01
                41            42            43            44            45 
      1   0.206462D+02  0.198584D+01 -0.130621D+02 -0.564432D+00  0.121806D+02
      2  -0.224973D+02  0.628318D+01  0.643488D+01  0.398993D+01  0.790322D+01
      3   0.185116D+01 -0.826902D+01  0.662724D+01 -0.342550D+01 -0.200838D+02
      4  -0.839514D+01 -0.245565D+01 -0.160782D+02 -0.448962D+01  0.184957D+02
      5  -0.553448D+01  0.150954D+02  0.147475D+02  0.153969D+02  0.175148D+02
      6  -0.452941D+00  0.647864D+01  0.820458D+01  0.632807D+01 -0.146564D+01
                46            47            48            49            50 
      1  -0.185662D+02 -0.150525D+00  0.165065D+00  0.152115D+01 -0.687749D+01
      2   0.558299D+01 -0.365831D+00 -0.214431D+00 -0.203026D+01  0.116211D+02
      3   0.129832D+02  0.516356D+00  0.493667D-01  0.509108D+00 -0.474357D+01
      4   0.132074D+02  0.607450D+01  0.504950D+00 -0.101230D+02 -0.171145D+01
      5  -0.726918D+00 -0.138389D-01  0.150724D+01 -0.341054D+01 -0.476333D+00
      6  -0.103136D+01  0.149751D+00  0.472126D+00 -0.198592D+01  0.253262D+01
                51            52            53            54            55 
      1  -0.100216D+00 -0.754976D+01 -0.103950D+01 -0.954019D+01  0.391195D+01
      2   0.375007D+01  0.165088D+01  0.150991D+01 -0.409849D+01 -0.411623D+01
      3  -0.364985D+01  0.589889D+01 -0.470412D+00  0.136387D+02  0.204281D+00
      4  -0.114120D+01 -0.313203D+01 -0.179258D+01  0.324712D+01  0.644784D+00
      5   0.194497D+01  0.312505D+01  0.246698D+01  0.102082D+00 -0.265514D+01
      6  -0.144445D+01 -0.707554D+00  0.468363D+01 -0.345028D+01  0.998288D-01
                56            57            58            59            60 
      1   0.791557D+00 -0.625624D+01 -0.237002D+01 -0.471595D+01 -0.228147D+01
      2  -0.127694D+01  0.652177D+00  0.207690D+01  0.100025D+01 -0.558866D+01
      3   0.485382D+00  0.560406D+01  0.293124D+00  0.371570D+01  0.787013D+01
      4  -0.203405D+01 -0.382743D+00 -0.229816D+00 -0.343990D+01 -0.527153D+01
      5   0.972489D+00  0.328917D+00  0.414069D+01 -0.401519D+01 -0.100565D+02
      6   0.162996D+01 -0.106587D+01 -0.113666D+00  0.208953D+01  0.363071D+01
                61            62            63            64            65 
      1  -0.560737D+01 -0.892779D+00 -0.165698D+02 -0.150252D+01  0.943712D+01
      2   0.437919D+01 -0.407003D+01 -0.172831D+02  0.437491D+01 -0.989563D+01
      3   0.122818D+01  0.496280D+01  0.338529D+02 -0.287239D+01  0.458509D+00
      4  -0.197141D+01 -0.724651D+01 -0.551207D+01  0.141296D+01 -0.255450D+01
      5   0.810668D+01 -0.313552D+01 -0.308566D+02  0.181964D+01 -0.356122D+00
      6   0.764522D+00  0.418178D+01 -0.695230D+01 -0.101515D+00  0.291502D+01
                66            67            68            69            70 
      1  -0.984123D+00  0.937001D+01 -0.248832D+02  0.227651D+01  0.168359D+01
      2  -0.981705D-01 -0.660309D+01  0.375501D+02 -0.143334D+01 -0.896860D+00
      3   0.108229D+01 -0.276692D+01 -0.126668D+02 -0.843172D+00 -0.786733D+00
      4   0.123814D+01  0.403341D+01  0.291287D+02 -0.281890D+01  0.226413D+01
      5  -0.196759D+01 -0.297701D+01 -0.611563D+00  0.402736D+01  0.252106D+00
      6  -0.263382D+01  0.668006D+00 -0.100251D+02  0.621715D+01 -0.138275D+01
                71            72            73            74            75 
      1   0.200277D+01 -0.548743D+01  0.858051D+02  0.111002D+02  0.203767D+01
      2  -0.522879D+00  0.291845D+01 -0.412305D+02 -0.276678D+01  0.642661D+00
      3  -0.147990D+01  0.256898D+01 -0.445746D+02 -0.833341D+01 -0.268033D+01
      4  -0.380393D+00  0.160614D+01  0.323450D+02  0.154077D+02 -0.228904D+00
      5   0.223150D+01 -0.209532D+01 -0.101298D+02 -0.199841D+01  0.106323D+02
      6   0.645797D+01 -0.133455D+01 -0.844769D+00 -0.155961D+01  0.338932D+01
                76            77            78            79            80 
      1   0.189523D+01  0.520870D+01  0.205069D+00  0.106524D+02  0.105411D+01
      2   0.171035D+01  0.387295D+00 -0.568889D+00 -0.435057D+01 -0.144237D+00
      3  -0.360558D+01 -0.559600D+01  0.363820D+00 -0.630187D+01 -0.909875D+00
      4   0.126730D+02  0.700098D+01  0.560214D+00  0.489962D+01  0.326161D+01
      5   0.601662D+00 -0.165925D+00 -0.727594D+00  0.101153D+02  0.311071D+00
      6  -0.752540D+00 -0.632094D+00  0.824133D+00  0.294873D+01  0.771425D+00
                81            82            83            84            85 
      1   0.625327D+01  0.530202D+01  0.135043D+02  0.434258D+01 -0.305526D+01
      2  -0.529186D+01 -0.544223D+01 -0.965285D+01 -0.154352D+01  0.119629D+02
      3  -0.961410D+00  0.140211D+00 -0.385150D+01 -0.279906D+01 -0.890765D+01
      4   0.120600D+01  0.576996D+01 -0.123644D+02 -0.177858D+00  0.243207D+01
      5   0.469348D+00  0.192535D+01 -0.484635D+00 -0.687003D+00  0.198179D+01
      6   0.688838D+00  0.299347D+01 -0.308888D+01 -0.439161D+01  0.547739D+01
                86            87            88            89            90 
      1   0.329424D+01  0.218409D+01  0.676022D+00  0.418481D+01 -0.146783D+02
      2  -0.808250D+01 -0.184029D+01  0.251403D+01 -0.574442D+01  0.348733D+01
      3   0.478827D+01 -0.343795D+00 -0.319005D+01  0.155961D+01  0.111910D+02
      4   0.144360D+02  0.202814D+01  0.261194D+00 -0.162171D+01  0.282315D+01
      5   0.193605D+01  0.685166D-02  0.423822D+01  0.293185D+01 -0.183453D+01
      6  -0.287666D+01  0.542990D+01 -0.333977D+01  0.146653D+02  0.374006D+00
                91            92            93            94            95 
      1   0.375899D+01 -0.198929D+02 -0.193252D+01  0.253473D+02  0.102681D+02
      2  -0.411190D+01  0.128273D+02  0.836706D+00 -0.230720D+02 -0.139898D+02
      3   0.352912D+00  0.706557D+01  0.109581D+01 -0.227534D+01  0.372165D+01
      4  -0.108803D+02 -0.581344D+01 -0.536330D+01  0.536195D+01 -0.658096D+01
      5  -0.437166D+01 -0.494463D+01 -0.768862D+00 -0.189687D+00 -0.561323D+01
      6  -0.573916D+01 -0.249712D+01  0.331001D+01 -0.470201D+01 -0.867438D+01
                96            97            98            99           100 
      1   0.270174D+01  0.249197D+01 -0.309669D+01 -0.472686D+01 -0.126537D+02
      2  -0.543186D+01 -0.656364D+01 -0.491442D+01 -0.507368D+01  0.875043D+01
      3   0.273012D+01  0.407167D+01  0.801111D+01  0.980054D+01  0.390323D+01
      4  -0.540056D+01 -0.513929D+01 -0.973800D+01  0.149736D+02 -0.205627D+01
      5   0.880588D+01  0.129937D+02  0.154201D+02  0.739895D+01 -0.819069D+01
      6   0.368914D+01  0.641947D+01  0.135912D+02  0.313002D+01  0.121644D+01
               101           102           103           104           105 
      1  -0.817103D+00 -0.687180D+01  0.385003D+01 -0.205885D+02 -0.623520D+01
      2   0.621282D+00  0.413059D+01 -0.197836D+01  0.171989D+02  0.756440D+01
      3   0.195821D+00  0.274121D+01 -0.187166D+01  0.338965D+01 -0.132920D+01
      4   0.227825D+02  0.132789D+01 -0.186947D+02 -0.604453D+01 -0.352834D+01
      5   0.121954D+01  0.138229D+02 -0.965657D+01 -0.250199D+01 -0.136995D+01
      6   0.957920D+00  0.112459D+01 -0.297264D+01  0.286742D+01 -0.257610D+01
               106           107           108           109           110 
      1  -0.101473D+02 -0.661923D+01  0.148197D+02  0.381404D+01  0.210140D+02
      2   0.412224D+01  0.560427D+01 -0.177073D+02 -0.649298D+01 -0.121848D+02
      3   0.602502D+01  0.101496D+01  0.288753D+01  0.267894D+01 -0.882924D+01
      4  -0.104788D+02  0.865601D+00 -0.673965D+00  0.183543D+02  0.861535D+00
      5   0.347086D+02  0.404482D+00  0.505883D+01  0.226723D+00  0.380526D+01
      6   0.212295D+00  0.413181D+01 -0.299172D+01  0.209767D+01 -0.284170D+01
               111           112           113           114           115 
      1   0.461950D+01 -0.247231D+02  0.612684D+01  0.668864D+00 -0.708972D+01
      2  -0.491156D+00  0.234584D+02 -0.111230D+02 -0.859519D+00  0.796266D+01
      3  -0.412835D+01  0.126470D+01  0.499613D+01  0.190655D+00 -0.872943D+00
      4   0.429615D+01  0.423931D+01  0.136500D+02  0.791734D+01  0.211042D+01
      5   0.469558D+01 -0.395663D+01  0.707403D+01 -0.825039D+01  0.174162D+02
      6  -0.494106D+01  0.608265D+01 -0.496531D+01  0.496314D+01 -0.789588D+01
               116           117           118           119           120 
      1   0.603498D+01  0.514232D+00  0.599483D+01 -0.112783D+02  0.191719D+00
      2  -0.814258D+01 -0.623928D+01 -0.524962D+01  0.930143D+01 -0.106604D+01
      3   0.210760D+01  0.572505D+01 -0.745214D+00  0.197691D+01  0.874326D+00
      4   0.741882D+01 -0.152945D+02 -0.107054D+02 -0.175783D+02 -0.388366D+01
      5  -0.154587D+02 -0.629632D+01 -0.352873D-01 -0.370634D+01 -0.317005D+01
      6   0.130565D+02 -0.165659D+01 -0.280353D+01 -0.206427D+01  0.349806D+01
               121           122           123           124           125 
      1   0.299110D+01  0.806983D+01  0.490165D+01  0.182219D+01  0.192142D+01
      2  -0.104306D+02 -0.109169D+02 -0.602047D+01 -0.449486D+01 -0.733463D+01
      3   0.743949D+01  0.284708D+01  0.111882D+01  0.267267D+01  0.541321D+01
      4   0.115154D+02 -0.129242D+02 -0.189788D+01  0.167934D+00 -0.460233D+01
      5   0.208063D+00 -0.208640D+01 -0.622123D+00 -0.883808D-01 -0.476601D+01
      6  -0.521818D+01 -0.935678D+01  0.249451D+01  0.372647D+01  0.122298D+02
               126           127           128           129           130 
      1  -0.151283D+02 -0.456664D+01  0.774976D+01  0.180231D+00  0.854464D+01
      2   0.106833D+01  0.673290D+01 -0.108692D+02 -0.268274D+00 -0.117653D+02
      3   0.140599D+02 -0.216625D+01  0.311948D+01  0.880433D-01  0.322067D+01
      4  -0.596435D+01 -0.761550D+01  0.750704D+01  0.643722D+00  0.738008D+01
      5  -0.543691D+01 -0.591626D+00  0.866512D+00  0.672347D+00  0.881303D+00
      6   0.541398D+01 -0.104651D+00  0.164752D-01 -0.176836D+01 -0.972443D+00
               131           132           133           134           135 
      1  -0.255208D+02 -0.184926D+01  0.198803D+00 -0.166177D+01 -0.843346D+00
      2   0.348610D+02  0.157300D+01 -0.580974D+00  0.230864D+01  0.133074D+01
      3  -0.934019D+01  0.276256D+00  0.382170D+00 -0.646871D+00 -0.487397D+00
      4  -0.736528D+01 -0.470722D+00  0.932996D-01  0.649520D-01 -0.136154D+01
      5  -0.100178D+01 -0.830250D+00  0.508283D+00 -0.707842D+00  0.261640D-01
      6   0.238092D+01  0.515580D+01 -0.548308D+00  0.181983D+01  0.385655D+00
               136           137           138           139           140 
      1   0.850183D+01  0.699943D+01  0.134922D+01  0.866319D+00 -0.103414D+02
      2   0.209258D+01  0.428618D+01 -0.638209D-03  0.110514D+02  0.318607D+02
      3  -0.105944D+02 -0.112856D+02 -0.134859D+01 -0.119177D+02 -0.215194D+02
      4   0.230111D+02  0.261437D+02  0.539237D+01  0.276261D+02  0.483026D+02
      5   0.498592D+01  0.525773D+01  0.522296D+01  0.516878D+01  0.830111D+01
      6   0.365293D+01  0.402612D+01  0.324964D+01  0.515297D+01  0.106732D+02
               141           142           143           144           145 
      1  -0.211749D+01  0.103913D+01 -0.122909D+01 -0.135360D+01  0.101610D+03
      2   0.396311D+01  0.142477D+01  0.475938D+01  0.218343D+01 -0.585146D+02
      3  -0.184562D+01 -0.246389D+01 -0.353030D+01 -0.829830D+00 -0.430955D+02
      4   0.867470D+01  0.668105D+01  0.101178D+02  0.380454D+01  0.358443D+01
      5   0.605689D+01  0.242636D+01  0.328555D+01  0.212944D+01  0.128395D+02
      6   0.807394D+01  0.238171D+01  0.484587D+01  0.279500D+01 -0.206055D+01
               146           147           148           149           150 
      1   0.294353D+01  0.849669D+01  0.157306D+01  0.961960D+01  0.123604D+01
      2  -0.148503D+01 -0.586345D+01 -0.726445D+00 -0.491993D+01 -0.109697D+01
      3  -0.145851D+01 -0.263324D+01 -0.846616D+00 -0.469967D+01 -0.139070D+00
      4   0.838277D+01  0.171174D-01  0.151872D+02  0.115198D+01  0.143757D+01
      5   0.970391D-01  0.110158D+02  0.241135D+01  0.152061D+01  0.613863D+00
      6   0.547991D+00 -0.201519D-01  0.110892D+01 -0.223332D+00  0.154532D+01
               151           152           153           154           155 
      1   0.111385D+02  0.147680D+01  0.429867D+01  0.154781D+02 -0.107339D+02
      2  -0.676411D+01 -0.958574D+00 -0.295077D+01 -0.331820D+00 -0.332196D+01
      3  -0.437442D+01 -0.518224D+00 -0.134790D+01 -0.151463D+02  0.140558D+02
      4   0.251057D+01  0.121211D+01  0.585477D+00 -0.294849D+02  0.299713D+02
      5   0.490575D+01  0.417466D+00  0.254682D+01 -0.350947D+01  0.261218D+01
      6   0.990548D-01  0.774036D+00  0.259692D+00  0.112026D+01 -0.927354D+00
               156           157           158           159           160 
      1  -0.137717D+01 -0.534550D+01 -0.181009D+01  0.551177D-01  0.446684D+00
      2   0.339869D+00 -0.949173D+01  0.239758D+02  0.120391D+01 -0.147151D+01
      3   0.103730D+01  0.148372D+02 -0.221657D+02 -0.125903D+01  0.102483D+01
      4   0.244591D+01  0.326468D+02 -0.482685D+02 -0.539481D+01  0.317815D+01
      5   0.495906D+01  0.453217D+01 -0.597460D+01 -0.548957D+01  0.201608D+01
      6  -0.282067D+01 -0.287403D+01  0.441571D+01  0.607394D+01 -0.170284D+01
               161           162           163           164           165 
      1  -0.101246D+01 -0.814800D+00 -0.510073D+01 -0.753987D+01 -0.285463D+01
      2   0.275652D+01  0.143960D+01  0.635146D+01  0.893307D+01  0.197628D+01
      3  -0.174406D+01 -0.624804D+00 -0.125073D+01 -0.139320D+01  0.878352D+00
      4  -0.511879D+01 -0.300579D+01  0.532331D+01  0.719396D+01  0.135339D+01
      5  -0.218335D+01 -0.979494D+00  0.550834D+00  0.981651D+00  0.152974D+01
      6   0.307685D+01  0.138091D+01  0.272238D+01  0.420228D+01  0.264130D+01
               166           167           168           169           170 
      1  -0.830038D+01 -0.288409D+02 -0.743286D+01 -0.227827D+01 -0.674542D+01
      2   0.104129D+02  0.369395D+02  0.671130D+01  0.260583D+01  0.753124D+01
      3  -0.211254D+01 -0.809856D+01  0.721561D+00 -0.327568D+00 -0.785817D+00
      4   0.593510D+01  0.252855D+01  0.137894D+00  0.159447D+01  0.116317D+01
      5   0.676696D+00 -0.478404D+00  0.241038D+00  0.120846D+01  0.678316D+00
      6   0.343492D+01  0.119376D+02  0.806830D+01  0.131462D+01  0.464914D+01
               171 
      1  -0.291183D+01
      2   0.284734D+01
      3   0.644873D-01
      4   0.189069D+01
      5   0.978446D+00
      6   0.330461D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.590086D+00      0.149985D+01      0.500296D+01
   x          0.104766D+00      0.266287D+00      0.888239D+00
   y         -0.325935D+00     -0.828443D+00     -0.276339D+01
   z          0.480616D+00      0.122160D+01      0.407484D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.945463D+02      0.140103D+02      0.155886D+02
   aniso      0.497710D+02      0.737530D+01      0.820613D+01
   xx         0.119506D+03      0.177089D+02      0.197038D+02
   yx         0.175632D+01      0.260260D+00      0.289578D+00
   yy         0.999482D+02      0.148108D+02      0.164792D+02
   zx         0.210176D+01      0.311449D+00      0.346533D+00
   zy         0.558917D+01      0.828229D+00      0.921529D+00
   zz         0.641851D+02      0.951125D+01      0.105827D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.101514D+03      0.150428D+02      0.167373D+02
   aniso      0.530411D+02      0.785988D+01      0.874529D+01
   xx         0.128763D+03      0.190807D+02      0.212302D+02
   yx         0.156488D+01      0.231891D+00      0.258014D+00
   yy         0.106432D+03      0.157717D+02      0.175483D+02
   zx         0.210390D+01      0.311765D+00      0.346886D+00
   zy         0.549117D+01      0.813707D+00      0.905371D+00
   zz         0.693455D+02      0.102759D+02      0.114335D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -3.99775529          1.19432156         -2.54785024
     6         -2.96411114         -0.74215330         -0.99283232
     1         -4.33250321          2.65268076         -1.50763863
     1         -3.05181771         -2.43675144         -2.17197577
     6         -4.60802811         -1.14637770          1.34515575
     6         -0.21358665         -0.27789808         -0.30537431
     1         -4.57418160          0.54216472          2.53648181
     1         -3.93046465         -2.72329608          2.48364071
     1         -6.55299941         -1.52640729          0.78048593
     6          1.00404160          1.96899421         -0.92199656
     6          3.51352111          2.36602440         -0.24278496
     6          4.84530803          0.51215967          1.04811616
     6          3.65296374         -1.75294723          1.64806687
     6          1.14840725         -2.13905386          0.97664321
     1         -0.00106860          3.39868869         -1.97952751
     1          4.42917452          4.12679065         -0.74015040
     1          6.79874916          0.81798480          1.57093540
     1          4.67862371         -3.22149310          2.63647280
     1          0.24742690         -3.91743790          1.44411145

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.590086D+00      0.149985D+01      0.500296D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.590086D+00      0.149985D+01      0.500296D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.945463D+02      0.140103D+02      0.155886D+02
   aniso      0.497710D+02      0.737530D+01      0.820613D+01
   xx         0.117051D+03      0.173451D+02      0.192991D+02
   yx         0.644850D+01      0.955570D+00      0.106321D+01
   yy         0.945139D+02      0.140055D+02      0.155832D+02
   zx         0.100571D+02      0.149031D+01      0.165820D+01
   zy        -0.133143D+02     -0.197297D+01     -0.219522D+01
   zz         0.720744D+02      0.106803D+02      0.118835D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.101514D+03      0.150428D+02      0.167373D+02
   aniso      0.530411D+02      0.785988D+01      0.874529D+01
   xx         0.126152D+03      0.186937D+02      0.207996D+02
   yx         0.658125D+01      0.975240D+00      0.108510D+01
   yy         0.100495D+03      0.148919D+02      0.165694D+02
   zx         0.108222D+02      0.160368D+01      0.178433D+01
   zy        -0.139420D+02     -0.206599D+01     -0.229872D+01
   zz         0.778941D+02      0.115427D+02      0.128430D+02

 ----------------------------------------------------------------------
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 THE ATTENTION SPAN OF A COMPUTER IS AS LONG
 AS ITS EXTENSION CORD.
 Job cpu time:       0 days  2 hours 21 minutes 15.3 seconds.
 Elapsed time:       0 days  0 hours 17 minutes 46.6 seconds.
 File lengths (MBytes):  RWF=    227 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:56:23 2021.
